N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

C25H25FN6O2 — CID 24784327

IUPACN-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCN(C)CC(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4ccc(F)cc4)[nH]c23)cc1
InChIInChI=1S/C25H25FN6O2/c1-32(2)15-21(33)29-19-9-3-16(4-10-19)11-13-28-25(34)20-12-14-27-24-22(20)30-23(31-24)17-5-7-18(26)8-6-17/h3-10,12,14H,11,13,15H2,1-2H3,(H,28,34)(H,29,33)(H,27,30,31)
InChIKeyIHQNWIBBCHBIEY-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.24
Rot. Bonds8

About N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 24784327) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID24784327
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC NameN-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCN(C)CC(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4ccc(F)cc4)[nH]c23)cc1
InChIInChI=1S/C25H25FN6O2/c1-32(2)15-21(33)29-19-9-3-16(4-10-19)11-13-28-25(34)20-12-14-27-24-22(20)30-23(31-24)17-5-7-18(26)8-6-17/h3-10,12,14H,11,13,15H2,1-2H3,(H,28,34)(H,29,33)(H,27,30,31)
InChIKeyIHQNWIBBCHBIEY-UHFFFAOYSA-N
XLogP3.24
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 69258409
N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 90687573
tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate
CID 146853096
N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
CID 52786806
N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
CID 108948446
2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000569
N-[2-(4-fluorophenyl)ethyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119562
2-(4-fluorophenyl)-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 110726518
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308419
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54844057

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 24784327) is N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is CN(C)CC(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4ccc(F)cc4)[nH]c23)cc1.
What is the InChIKey of N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is IHQNWIBBCHBIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-32(2)15-21(33)29-19-9-3-16(4-10-19)11-13-28-25(34)20-12-14-27-24-22(20)30-23(31-24)17-5-7-18(26)8-6-17/h3-10,12,14H,11,13,15H2,1-2H3,(H,28,34)(H,29,33)(H,27,30,31).
What are the key properties of N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 24784327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).