2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine

C24H30N4O2 — CID 42473072

IUPAC2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCOc1cc(CN2CCC(n3c(C4CCC4)nc4cccnc43)CC2)cc(OC)c1
InChIInChI=1S/C24H30N4O2/c1-29-20-13-17(14-21(15-20)30-2)16-27-11-8-19(9-12-27)28-23(18-5-3-6-18)26-22-7-4-10-25-24(22)28/h4,7,10,13-15,18-19H,3,5-6,8-9,11-12,16H2,1-2H3
InChIKeyPCULWPDIVXUCLS-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.55
Rot. Bonds6

About 2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine

2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine (PubChem CID 42473072) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
PubChem CID42473072
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCOc1cc(CN2CCC(n3c(C4CCC4)nc4cccnc43)CC2)cc(OC)c1
InChIInChI=1S/C24H30N4O2/c1-29-20-13-17(14-21(15-20)30-2)16-27-11-8-19(9-12-27)28-23(18-5-3-6-18)26-22-7-4-10-25-24(22)28/h4,7,10,13-15,18-19H,3,5-6,8-9,11-12,16H2,1-2H3
InChIKeyPCULWPDIVXUCLS-UHFFFAOYSA-N
XLogP4.55
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42278085
1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 42480259
1-[(3S)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95108227
3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 53186906
3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160696
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132
3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162220
2-(1-ethylpiperidin-3-yl)-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117161788
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine
CID 42420359
6-[[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]quinoxaline
CID 26400784
3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161767
3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine
CID 42431690

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine (CID 42473072) is 2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine is COc1cc(CN2CCC(n3c(C4CCC4)nc4cccnc43)CC2)cc(OC)c1.
What is the InChIKey of 2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is PCULWPDIVXUCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-29-20-13-17(14-21(15-20)30-2)16-27-11-8-19(9-12-27)28-23(18-5-3-6-18)26-22-7-4-10-25-24(22)28/h4,7,10,13-15,18-19H,3,5-6,8-9,11-12,16H2,1-2H3.
What are the key properties of 2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine?
2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 406.53 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 42473072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).