N-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide

C33H38ClN5O2 — CID 71574951

IUPACN-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide
SMILESCc1ccc2nc(-c3ccc(OCC4CCN(C(=O)Nc5ccc(Cl)cc5)CC4)cc3)c(NC3CCCCC3)n2c1
InChIInChI=1S/C33H38ClN5O2/c1-23-7-16-30-37-31(32(39(30)21-23)35-27-5-3-2-4-6-27)25-8-14-29(15-9-25)41-22-24-17-19-38(20-18-24)33(40)36-28-12-10-26(34)11-13-28/h7-16,21,24,27,35H,2-6,17-20,22H2,1H3,(H,36,40)
InChIKeyFMNRVMDQAIHBQK-UHFFFAOYSA-N
MW572.15 g/mol
LogP8.03
Rot. Bonds7

About N-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide

N-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide (PubChem CID 71574951) has the molecular formula C33H38ClN5O2 and a molecular weight of 572.15 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide
PubChem CID71574951
Molecular FormulaC33H38ClN5O2
Molecular Weight572.15 g/mol
Exact Mass571.27
IUPAC NameN-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide
SMILESCc1ccc2nc(-c3ccc(OCC4CCN(C(=O)Nc5ccc(Cl)cc5)CC4)cc3)c(NC3CCCCC3)n2c1
InChIInChI=1S/C33H38ClN5O2/c1-23-7-16-30-37-31(32(39(30)21-23)35-27-5-3-2-4-6-27)25-8-14-29(15-9-25)41-22-24-17-19-38(20-18-24)33(40)36-28-12-10-26(34)11-13-28/h7-16,21,24,27,35H,2-6,17-20,22H2,1H3,(H,36,40)
InChIKeyFMNRVMDQAIHBQK-UHFFFAOYSA-N
XLogP8.03
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.15
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide (CID 71574951) is N-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide is Cc1ccc2nc(-c3ccc(OCC4CCN(C(=O)Nc5ccc(Cl)cc5)CC4)cc3)c(NC3CCCCC3)n2c1.
What is the InChIKey of N-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide?
The InChIKey is FMNRVMDQAIHBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38ClN5O2/c1-23-7-16-30-37-31(32(39(30)21-23)35-27-5-3-2-4-6-27)25-8-14-29(15-9-25)41-22-24-17-19-38(20-18-24)33(40)36-28-12-10-26(34)11-13-28/h7-16,21,24,27,35H,2-6,17-20,22H2,1H3,(H,36,40).
What are the key properties of N-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide?
N-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide has a molecular weight of 572.15 g/mol, XLogP of 8.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71574951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).