[1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone

C27H34N4O2 — CID 91904137

IUPAC[1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCCC(Cn4c(C)nc5cccnc54)C3)CCCCC2)cc1
InChIInChI=1S/C27H34N4O2/c1-20-29-24-9-6-16-28-25(24)31(20)19-21-8-7-17-30(18-21)26(32)27(14-4-3-5-15-27)22-10-12-23(33-2)13-11-22/h6,9-13,16,21H,3-5,7-8,14-15,17-19H2,1-2H3
InChIKeyNMNJXLSFCBGTNH-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.89
Rot. Bonds5

About [1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone

[1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91904137) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID91904137
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name[1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCCC(Cn4c(C)nc5cccnc54)C3)CCCCC2)cc1
InChIInChI=1S/C27H34N4O2/c1-20-29-24-9-6-16-28-25(24)31(20)19-21-8-7-17-30(18-21)26(32)27(14-4-3-5-15-27)22-10-12-23(33-2)13-11-22/h6,9-13,16,21H,3-5,7-8,14-15,17-19H2,1-2H3
InChIKeyNMNJXLSFCBGTNH-UHFFFAOYSA-N
XLogP4.89
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone (CID 91904137) is [1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone is COc1ccc(C2(C(=O)N3CCCC(Cn4c(C)nc5cccnc54)C3)CCCCC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is NMNJXLSFCBGTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-20-29-24-9-6-16-28-25(24)31(20)19-21-8-7-17-30(18-21)26(32)27(14-4-3-5-15-27)22-10-12-23(33-2)13-11-22/h6,9-13,16,21H,3-5,7-8,14-15,17-19H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone?
[1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 446.60 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91904137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).