1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide

C27H33ClN4O3 — CID 135335014

IUPAC1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(C(=O)NC5CCCCC5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C27H33ClN4O3/c1-34-24-16-25(35-2)22(28)15-21(24)23-17-32-13-10-20(14-26(32)30-23)31-11-8-18(9-12-31)27(33)29-19-6-4-3-5-7-19/h10,13-19H,3-9,11-12H2,1-2H3,(H,29,33)
InChIKeyDLUSPNXUQIXQML-UHFFFAOYSA-N
MW497.04 g/mol
LogP5.34
Rot. Bonds6

About 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide

1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide (PubChem CID 135335014) has the molecular formula C27H33ClN4O3 and a molecular weight of 497.04 g/mol. Its IUPAC name is 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide
PubChem CID135335014
Molecular FormulaC27H33ClN4O3
Molecular Weight497.04 g/mol
Exact Mass496.22
IUPAC Name1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(C(=O)NC5CCCCC5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C27H33ClN4O3/c1-34-24-16-25(35-2)22(28)15-21(24)23-17-32-13-10-20(14-26(32)30-23)31-11-8-18(9-12-31)27(33)29-19-6-4-3-5-7-19/h10,13-19H,3-9,11-12H2,1-2H3,(H,29,33)
InChIKeyDLUSPNXUQIXQML-UHFFFAOYSA-N
XLogP5.34
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.04
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide (CID 135335014) is 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide is COc1cc(OC)c(-c2cn3ccc(N4CCC(C(=O)NC5CCCCC5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide?
The InChIKey is DLUSPNXUQIXQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O3/c1-34-24-16-25(35-2)22(28)15-21(24)23-17-32-13-10-20(14-26(32)30-23)31-11-8-18(9-12-31)27(33)29-19-6-4-3-5-7-19/h10,13-19H,3-9,11-12H2,1-2H3,(H,29,33).
What are the key properties of 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide?
1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide has a molecular weight of 497.04 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-cyclohexylpiperidine-4-carboxamide is sourced from PubChem (CID 135335014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).