N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide

C28H21N7O — CID 58345214

IUPACN-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide
SMILESNc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2nccc3ccccc23)cc1
InChIInChI=1S/C28H21N7O/c29-25-22(7-3-14-31-25)26-34-23-8-4-15-32-27(23)35(26)20-11-9-18(10-12-20)17-33-28(36)24-21-6-2-1-5-19(21)13-16-30-24/h1-16H,17H2,(H2,29,31)(H,33,36)
InChIKeyKUWIHWVYVAUUBT-UHFFFAOYSA-N
MW471.52 g/mol
LogP4.54
Rot. Bonds5

About N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide

N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide (PubChem CID 58345214) has the molecular formula C28H21N7O and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide
PubChem CID58345214
Molecular FormulaC28H21N7O
Molecular Weight471.52 g/mol
Exact Mass471.18
IUPAC NameN-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide
SMILESNc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2nccc3ccccc23)cc1
InChIInChI=1S/C28H21N7O/c29-25-22(7-3-14-31-25)26-34-23-8-4-15-32-27(23)35(26)20-11-9-18(10-12-20)17-33-28(36)24-21-6-2-1-5-19(21)13-16-30-24/h1-16H,17H2,(H2,29,31)(H,33,36)
InChIKeyKUWIHWVYVAUUBT-UHFFFAOYSA-N
XLogP4.54
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide with MolForge

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Related Compounds

N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide
CID 171494297
N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide
CID 58345113
N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide
CID 169175528
lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate
CID 58345222
N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
CID 58344978
N-[[4-[5-(2-aminophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 58344965
3-[3-(4-propylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 170204603
N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]pyridine-3-carboxamide
CID 58345275
N-[5-[2-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]-2-oxoethyl]-2-formylphenyl]cyclopropanecarboxamide
CID 169175288
N-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetamide
CID 58344944
N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-[(Z)-N'-hydrazinylcarbamimidoyl]benzamide
CID 176947959
4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile
CID 171495410

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide (CID 58345214) is N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide is Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2nccc3ccccc23)cc1.
What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide?
The InChIKey is KUWIHWVYVAUUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N7O/c29-25-22(7-3-14-31-25)26-34-23-8-4-15-32-27(23)35(26)20-11-9-18(10-12-20)17-33-28(36)24-21-6-2-1-5-19(21)13-16-30-24/h1-16H,17H2,(H2,29,31)(H,33,36).
What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide?
N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 58345214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).