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

C25H18N8O — CID 171494297

IUPACN-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide
SMILESN#Cc1cccnc1C(=O)NCc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1
InChIInChI=1S/C25H18N8O/c26-14-17-4-1-11-28-21(17)25(34)31-15-16-7-9-18(10-8-16)33-23(19-5-2-12-29-22(19)27)32-20-6-3-13-30-24(20)33/h1-13H,15H2,(H2,27,29)(H,31,34)
InChIKeyPWBHTXKKKCPYCQ-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.26
Rot. Bonds5

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

N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide (PubChem CID 171494297) has the molecular formula C25H18N8O and a molecular weight of 446.47 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide
PubChem CID171494297
Molecular FormulaC25H18N8O
Molecular Weight446.47 g/mol
Exact Mass446.16
IUPAC NameN-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide
SMILESN#Cc1cccnc1C(=O)NCc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1
InChIInChI=1S/C25H18N8O/c26-14-17-4-1-11-28-21(17)25(34)31-15-16-7-9-18(10-8-16)33-23(19-5-2-12-29-22(19)27)32-20-6-3-13-30-24(20)33/h1-13H,15H2,(H2,27,29)(H,31,34)
InChIKeyPWBHTXKKKCPYCQ-UHFFFAOYSA-N
XLogP3.26
TPSA135.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]-3-cyanopyridine-2-carboxamide?
The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide (CID 171494297) is N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide is N#Cc1cccnc1C(=O)NCc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1.
What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide?
The InChIKey is PWBHTXKKKCPYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N8O/c26-14-17-4-1-11-28-21(17)25(34)31-15-16-7-9-18(10-8-16)33-23(19-5-2-12-29-22(19)27)32-20-6-3-13-30-24(20)33/h1-13H,15H2,(H2,27,29)(H,31,34).
What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide?
N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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]-3-cyanopyridine-2-carboxamide is sourced from PubChem (CID 171494297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).