[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C22H21N7O — CID 175641326

IUPAC[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc2c(c1)ncn2Cc1cccnc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H21N7O/c30-22(28-10-8-27(9-11-28)20-5-1-2-7-24-20)18-12-19-21(25-14-18)29(16-26-19)15-17-4-3-6-23-13-17/h1-7,12-14,16H,8-11,15H2
InChIKeyJLDGTHUMIMBWCN-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.23
Rot. Bonds4

About [3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 175641326) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is [3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID175641326
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc2c(c1)ncn2Cc1cccnc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H21N7O/c30-22(28-10-8-27(9-11-28)20-5-1-2-7-24-20)18-12-19-21(25-14-18)29(16-26-19)15-17-4-3-6-23-13-17/h1-7,12-14,16H,8-11,15H2
InChIKeyJLDGTHUMIMBWCN-UHFFFAOYSA-N
XLogP2.23
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-1-[4-[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 176502359
[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 176505498
N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106704
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
4-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)piperidin-4-yl]-1H-pyridin-2-one
CID 176506848
[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238602
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175645040
N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide
CID 176505536
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(3-methoxypyrrolidin-1-yl)-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176505470

Frequently Asked Questions

What is the IUPAC name of [3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 175641326) is [3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cnc2c(c1)ncn2Cc1cccnc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JLDGTHUMIMBWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c30-22(28-10-8-27(9-11-28)20-5-1-2-7-24-20)18-12-19-21(25-14-18)29(16-26-19)15-17-4-3-6-23-13-17/h1-7,12-14,16H,8-11,15H2.
What are the key properties of [3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 399.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 175641326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).