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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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).