2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide

C32H43N5O — CID 25199514

IUPAC2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3ccc(C#N)cc3)c(CCCN3CCCC3)n2c1
InChIInChI=1S/C32H43N5O/c1-24(2)15-20-36(21-16-25(3)4)32(38)28-13-14-30-34-31(27-11-9-26(22-33)10-12-27)29(37(30)23-28)8-7-19-35-17-5-6-18-35/h9-14,23-25H,5-8,15-21H2,1-4H3
InChIKeyUVWFHYIIBHXZCQ-UHFFFAOYSA-N
MW513.73 g/mol
LogP6.44
Rot. Bonds12

About 2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide

2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 25199514) has the molecular formula C32H43N5O and a molecular weight of 513.73 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID25199514
Molecular FormulaC32H43N5O
Molecular Weight513.73 g/mol
Exact Mass513.35
IUPAC Name2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3ccc(C#N)cc3)c(CCCN3CCCC3)n2c1
InChIInChI=1S/C32H43N5O/c1-24(2)15-20-36(21-16-25(3)4)32(38)28-13-14-30-34-31(27-11-9-26(22-33)10-12-27)29(37(30)23-28)8-7-19-35-17-5-6-18-35/h9-14,23-25H,5-8,15-21H2,1-4H3
InChIKeyUVWFHYIIBHXZCQ-UHFFFAOYSA-N
XLogP6.44
TPSA64.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.73
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 25199514) is 2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide is CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3ccc(C#N)cc3)c(CCCN3CCCC3)n2c1.
What is the InChIKey of 2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is UVWFHYIIBHXZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N5O/c1-24(2)15-20-36(21-16-25(3)4)32(38)28-13-14-30-34-31(27-11-9-26(22-33)10-12-27)29(37(30)23-28)8-7-19-35-17-5-6-18-35/h9-14,23-25H,5-8,15-21H2,1-4H3.
What are the key properties of 2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 513.73 g/mol, XLogP of 6.44, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 25199514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).