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

C33H28N8O — CID 171496035

IUPACN-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane
SMILESCC.N#Cc1cncc(C(=O)NCc2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)c1
InChIInChI=1S/C31H22N8O.C2H6/c32-16-21-15-23(19-34-17-21)31(40)36-18-20-8-10-24(11-9-20)39-29(25-7-4-14-35-28(25)33)38-27-13-12-26(37-30(27)39)22-5-2-1-3-6-22;1-2/h1-15,17,19H,18H2,(H2,33,35)(H,36,40);1-2H3
InChIKeyAGQHGOOKHVERAR-UHFFFAOYSA-N
MW552.64 g/mol
LogP5.95
Rot. Bonds6

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

N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane (PubChem CID 171496035) has the molecular formula C33H28N8O and a molecular weight of 552.64 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane
PubChem CID171496035
Molecular FormulaC33H28N8O
Molecular Weight552.64 g/mol
Exact Mass552.24
IUPAC NameN-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane
SMILESCC.N#Cc1cncc(C(=O)NCc2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)c1
InChIInChI=1S/C31H22N8O.C2H6/c32-16-21-15-23(19-34-17-21)31(40)36-18-20-8-10-24(11-9-20)39-29(25-7-4-14-35-28(25)33)38-27-13-12-26(37-30(27)39)22-5-2-1-3-6-22;1-2/h1-15,17,19H,18H2,(H2,33,35)(H,36,40);1-2H3
InChIKeyAGQHGOOKHVERAR-UHFFFAOYSA-N
XLogP5.95
TPSA135.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyridazine-4-carbonitrile
CID 171496011
N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-[(Z)-N'-hydrazinylcarbamimidoyl]benzamide
CID 176947959
N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-cyano-5-fluoro-1,3-benzothiazole-7-carboxamide
CID 171496018
N-[[4-[2-(2-amino-3-pyridinyl)-5,6-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
CID 58344978
N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]pyridine-3-carboxamide
CID 58345275
ethane;3-[3-(4-ethylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171102945
N-[[4-[5-(2-aminophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 58344965
[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[[(Z)-3-amino-4,4,4-trifluorobut-2-enoyl]amino]benzamide
CID 176947939
1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone
CID 171069063
4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-N-methoxybenzamide
CID 171069098
N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide
CID 171494297

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane?
The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane (CID 171496035) is N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane.
What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane?
The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane is CC.N#Cc1cncc(C(=O)NCc2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)c1.
What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane?
The InChIKey is AGQHGOOKHVERAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N8O.C2H6/c32-16-21-15-23(19-34-17-21)31(40)36-18-20-8-10-24(11-9-20)39-29(25-7-4-14-35-28(25)33)38-27-13-12-26(37-30(27)39)22-5-2-1-3-6-22;1-2/h1-15,17,19H,18H2,(H2,33,35)(H,36,40);1-2H3.
What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane?
N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane has a molecular weight of 552.64 g/mol, XLogP of 5.95, 6 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)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-5-cyanopyridine-3-carboxamide;ethane is sourced from PubChem (CID 171496035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).