N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

C22H20FN5O2 — CID 176501362

IUPACN-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(c1cnc2c(c1)ncn2Cc1cccnc1)N(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C22H20FN5O2/c23-19-5-3-16(4-6-19)13-27(8-9-29)22(30)18-10-20-21(25-12-18)28(15-26-20)14-17-2-1-7-24-11-17/h1-7,10-12,15,29H,8-9,13-14H2
InChIKeyUQZXZBBPSOEJOJ-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.65
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176501362) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176501362
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(c1cnc2c(c1)ncn2Cc1cccnc1)N(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C22H20FN5O2/c23-19-5-3-16(4-6-19)13-27(8-9-29)22(30)18-10-20-21(25-12-18)28(15-26-20)14-17-2-1-7-24-11-17/h1-7,10-12,15,29H,8-9,13-14H2
InChIKeyUQZXZBBPSOEJOJ-UHFFFAOYSA-N
XLogP2.65
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-N-propyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503111
3-[(4-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82324870
2-methoxy-1-[4-[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 176502359
N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504746
[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 175641326
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175645040
[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 176505498
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 42819353
3-[(4-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82327660
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 42248306
N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 110886459
N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176501362) is N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is O=C(c1cnc2c(c1)ncn2Cc1cccnc1)N(CCO)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is UQZXZBBPSOEJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-19-5-3-16(4-6-19)13-27(8-9-29)22(30)18-10-20-21(25-12-18)28(15-26-20)14-17-2-1-7-24-11-17/h1-7,10-12,15,29H,8-9,13-14H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176501362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).