2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide

C27H28N4O — CID 66665901

IUPAC2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCNC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1
InChIInChI=1S/C27H28N4O/c1-2-17-29-26(32)21-11-14-23-30-24(25(31(23)18-21)20-7-4-3-5-8-20)19-9-12-22(13-10-19)27(28)15-6-16-27/h3-5,7-14,18H,2,6,15-17,28H2,1H3,(H,29,32)
InChIKeyJJNOYENYFUCTHS-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.15
Rot. Bonds6

About 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide

2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 66665901) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID66665901
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCNC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1
InChIInChI=1S/C27H28N4O/c1-2-17-29-26(32)21-11-14-23-30-24(25(31(23)18-21)20-7-4-3-5-8-20)19-9-12-22(13-10-19)27(28)15-6-16-27/h3-5,7-14,18H,2,6,15-17,28H2,1H3,(H,29,32)
InChIKeyJJNOYENYFUCTHS-UHFFFAOYSA-N
XLogP5.15
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide (CID 66665901) is 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide is CCCNC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1.
What is the InChIKey of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is JJNOYENYFUCTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-2-17-29-26(32)21-11-14-23-30-24(25(31(23)18-21)20-7-4-3-5-8-20)19-9-12-22(13-10-19)27(28)15-6-16-27/h3-5,7-14,18H,2,6,15-17,28H2,1H3,(H,29,32).
What are the key properties of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide?
2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 66665901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).