6-[4-(1-Ethyl-piperidin-4-yloxy)-pyridin-3-yl]-3-(1-methyl-1H-pyrazol-4-yl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole

HCID 44545752
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Basic information

Standard SMILES
CCN1CCC(Oc2ccncc2-c2cc3c(cn2)[nH]c2ncc(-c4cnn(C)c4)cc23)CC1
InChIKey
IOCXTXOMGLBRGD-UHFFFAOYSA-N
Molecular formula
C26H27N7O
Average molar mass
453.5 g/mol

Names & identifiers

Preferred name
6-[4-(1-Ethyl-piperidin-4-yloxy)-pyridin-3-yl]-3-(1-methyl-1H-pyrazol-4-yl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole
IUPAC
4-[4-(1-ethylpiperidin-4-yl)oxy-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

Names & synonyms

SCHEMBL1897331IOCXTXOMGLBRGD-UHFFFAOYSA-N6-[4-(1-Ethyl-piperidin-4-yloxy)-pyridin-3-yl]-3-(1-methyl-1H-pyrazol-4-yl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole

Database identifiers

PubChem CID
44545752

Properties

Computed structural properties

XLogP
3
Topological polar surface area
84.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
34

Related reactions

2 records
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Linked notes

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