1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide

C29H29ClN4O3 — CID 83285003

IUPAC1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2CCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C29H29ClN4O3/c1-37-22-9-6-19(7-10-22)28-25(11-13-27(35)33-16-14-20(15-17-33)29(31)36)34-18-21(8-12-26(34)32-28)23-4-2-3-5-24(23)30/h2-10,12,18,20H,11,13-17H2,1H3,(H2,31,36)
InChIKeyZBBJKNPJOZKXSF-UHFFFAOYSA-N
MW517.03 g/mol
LogP4.99
Rot. Bonds7

About 1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide

1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide (PubChem CID 83285003) has the molecular formula C29H29ClN4O3 and a molecular weight of 517.03 g/mol. Its IUPAC name is 1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide
PubChem CID83285003
Molecular FormulaC29H29ClN4O3
Molecular Weight517.03 g/mol
Exact Mass516.19
IUPAC Name1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2CCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C29H29ClN4O3/c1-37-22-9-6-19(7-10-22)28-25(11-13-27(35)33-16-14-20(15-17-33)29(31)36)34-18-21(8-12-26(34)32-28)23-4-2-3-5-24(23)30/h2-10,12,18,20H,11,13-17H2,1H3,(H2,31,36)
InChIKeyZBBJKNPJOZKXSF-UHFFFAOYSA-N
XLogP4.99
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.03
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide (CID 83285003) is 1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide is COc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2CCC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide?
The InChIKey is ZBBJKNPJOZKXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O3/c1-37-22-9-6-19(7-10-22)28-25(11-13-27(35)33-16-14-20(15-17-33)29(31)36)34-18-21(8-12-26(34)32-28)23-4-2-3-5-24(23)30/h2-10,12,18,20H,11,13-17H2,1H3,(H2,31,36).
What are the key properties of 1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide?
1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide has a molecular weight of 517.03 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(2-chlorophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 83285003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).