2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine

C25H27N5 — CID 14013366

IUPAC2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1ccc(CN2CCC(Cc3nc4cccnc4n3Cc3ccccn3)CC2)cc1
InChIInChI=1S/C25H27N5/c1-2-7-21(8-3-1)18-29-15-11-20(12-16-29)17-24-28-23-10-6-14-27-25(23)30(24)19-22-9-4-5-13-26-22/h1-10,13-14,20H,11-12,15-19H2
InChIKeySFVNZKZHLIZKDI-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.33
Rot. Bonds6

About 2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine

2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 14013366) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID14013366
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1ccc(CN2CCC(Cc3nc4cccnc4n3Cc3ccccn3)CC2)cc1
InChIInChI=1S/C25H27N5/c1-2-7-21(8-3-1)18-29-15-11-20(12-16-29)17-24-28-23-10-6-14-27-25(23)30(24)19-22-9-4-5-13-26-22/h1-10,13-14,20H,11-12,15-19H2
InChIKeySFVNZKZHLIZKDI-UHFFFAOYSA-N
XLogP4.33
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79289197
[5-[[2-[[1-(2-aminoethyl)piperidin-4-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol
CID 22343500
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117161335
3-[(4-fluorophenyl)methyl]-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methyl]benzimidazol-5-ol
CID 14013120
3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161305
2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyridine
CID 174571259
3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 97166664
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine
CID 95816983
[1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol
CID 71649897
2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 19911489
N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189852
1-[(3R)-3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 97429258

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine (CID 14013366) is 2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine is c1ccc(CN2CCC(Cc3nc4cccnc4n3Cc3ccccn3)CC2)cc1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is SFVNZKZHLIZKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5/c1-2-7-21(8-3-1)18-29-15-11-20(12-16-29)17-24-28-23-10-6-14-27-25(23)30(24)19-22-9-4-5-13-26-22/h1-10,13-14,20H,11-12,15-19H2.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 397.53 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 14013366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).