4-[4-(1H-Indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

HCID 11633369
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ccc5c4)ncnc3[nH]2)CC1
InChIKey
FDWOTUZQROZVRJ-UHFFFAOYSA-N
Molecular formula
C24H26N6O2
Average molar mass
430.5 g/mol
Monoisotopic mass
430.21172409

Names & identifiers

Preferred name
4-[4-(1H-Indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Names & synonyms

SCHEMBL5001675FDWOTUZQROZVRJ-UHFFFAOYSA-N4-[4-(1H-Indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
11633369

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
98.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
32

Related reactions

2 records
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Compound notes

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