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

C26H27FN4O — CID 42278085

IUPAC2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCOc1cccc(CN2CCC(n3c(Cc4ccc(F)cc4)nc4cccnc43)CC2)c1
InChIInChI=1S/C26H27FN4O/c1-32-23-5-2-4-20(16-23)18-30-14-11-22(12-15-30)31-25(17-19-7-9-21(27)10-8-19)29-24-6-3-13-28-26(24)31/h2-10,13,16,22H,11-12,14-15,17-18H2,1H3
InChIKeyYTGVWWSLULPKNN-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.01
Rot. Bonds6

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

2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine (PubChem CID 42278085) has the molecular formula C26H27FN4O and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
PubChem CID42278085
Molecular FormulaC26H27FN4O
Molecular Weight430.53 g/mol
Exact Mass430.22
IUPAC Name2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCOc1cccc(CN2CCC(n3c(Cc4ccc(F)cc4)nc4cccnc43)CC2)c1
InChIInChI=1S/C26H27FN4O/c1-32-23-5-2-4-20(16-23)18-30-14-11-22(12-15-30)31-25(17-19-7-9-21(27)10-8-19)29-24-6-3-13-28-26(24)31/h2-10,13,16,22H,11-12,14-15,17-18H2,1H3
InChIKeyYTGVWWSLULPKNN-UHFFFAOYSA-N
XLogP5.01
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine with MolForge

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Related Compounds

3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132
2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42473072
[4-[2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 42276581
2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42276683
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine
CID 42420359
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 26278368
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 42421954
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
[5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42484331
3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
CID 117165535
3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165077
4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165404

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine (CID 42278085) is 2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine is COc1cccc(CN2CCC(n3c(Cc4ccc(F)cc4)nc4cccnc43)CC2)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is YTGVWWSLULPKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O/c1-32-23-5-2-4-20(16-23)18-30-14-11-22(12-15-30)31-25(17-19-7-9-21(27)10-8-19)29-24-6-3-13-28-26(24)31/h2-10,13,16,22H,11-12,14-15,17-18H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine?
2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 430.53 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 42278085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).