4-((1-(Tert-butoxycarbonyl)piperidin-4-yl)methylamino)-6-(5-cyanopyrazin-2-ylamino)nicotinic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(CNc2cc(Nc3cnc(C#N)cn3)ncc2C(=O)O)CC1- InChIKey
CSPICRXYZHEWKC-UHFFFAOYSA-N- Molecular formula
- C22H27N7O4
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.21245237
Names & identifiers
- Preferred name
- 4-((1-(Tert-butoxycarbonyl)piperidin-4-yl)methylamino)-6-(5-cyanopyrazin-2-ylamino)nicotinic acid
- IUPAC
- 6-[(5-cyanopyrazin-2-yl)amino]-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridine-3-carboxylic acid
Names & synonyms
SCHEMBL620310CSPICRXYZHEWKC-UHFFFAOYSA-N4-((1-(tert-butoxycarbonyl)piperidin-4-yl)methylamino)-6-(5-cyanopyrazin-2-ylamino)nicotinic acid
Database identifiers
- PubChem CID
- 59613465
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 726
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…