N-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide

C26H29ClN4O2 — CID 160531736

IUPACN-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCCCc1nc2cc(C(=O)NCC(C)CC(=O)Cc3ccc(C#N)c(Cl)c3)ccn2c1CC
InChIInChI=1S/C26H29ClN4O2/c1-4-6-23-24(5-2)31-10-9-19(14-25(31)30-23)26(33)29-16-17(3)11-21(32)12-18-7-8-20(15-28)22(27)13-18/h7-10,13-14,17H,4-6,11-12,16H2,1-3H3,(H,29,33)
InChIKeyQVQDBTLVKAOAMT-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.94
Rot. Bonds10

About N-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide

N-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 160531736) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is N-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID160531736
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC NameN-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCCCc1nc2cc(C(=O)NCC(C)CC(=O)Cc3ccc(C#N)c(Cl)c3)ccn2c1CC
InChIInChI=1S/C26H29ClN4O2/c1-4-6-23-24(5-2)31-10-9-19(14-25(31)30-23)26(33)29-16-17(3)11-21(32)12-18-7-8-20(15-28)22(27)13-18/h7-10,13-14,17H,4-6,11-12,16H2,1-3H3,(H,29,33)
InChIKeyQVQDBTLVKAOAMT-UHFFFAOYSA-N
XLogP4.94
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 115267427
3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide
CID 114306044
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CID 144704139

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide (CID 160531736) is N-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide is CCCc1nc2cc(C(=O)NCC(C)CC(=O)Cc3ccc(C#N)c(Cl)c3)ccn2c1CC.
What is the InChIKey of N-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is QVQDBTLVKAOAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-4-6-23-24(5-2)31-10-9-19(14-25(31)30-23)26(33)29-16-17(3)11-21(32)12-18-7-8-20(15-28)22(27)13-18/h7-10,13-14,17H,4-6,11-12,16H2,1-3H3,(H,29,33).
What are the key properties of N-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide?
N-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 465.00 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 160531736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).