2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide

C48H46N8O — CID 66665081

IUPAC2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1.Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1
InChIInChI=1S/C25H24N4O.C23H22N4/c1-17(30)27-21-12-13-22-28-23(24(29(22)16-21)19-6-3-2-4-7-19)18-8-10-20(11-9-18)25(26)14-5-15-25;24-19-11-12-20-26-21(22(27(20)15-19)17-5-2-1-3-6-17)16-7-9-18(10-8-16)23(25)13-4-14-23/h2-4,6-13,16H,5,14-15,26H2,1H3,(H,27,30);1-3,5-12,15H,4,13-14,24-25H2
InChIKeyXMALRWXFIWIGCQ-UHFFFAOYSA-N
MW750.95 g/mol
LogP9.55
Rot. Bonds7

About 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide

2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide (PubChem CID 66665081) has the molecular formula C48H46N8O and a molecular weight of 750.95 g/mol. Its IUPAC name is 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide
PubChem CID66665081
Molecular FormulaC48H46N8O
Molecular Weight750.95 g/mol
Exact Mass750.38
IUPAC Name2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1.Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1
InChIInChI=1S/C25H24N4O.C23H22N4/c1-17(30)27-21-12-13-22-28-23(24(29(22)16-21)19-6-3-2-4-7-19)18-8-10-20(11-9-18)25(26)14-5-15-25;24-19-11-12-20-26-21(22(27(20)15-19)17-5-2-1-3-6-17)16-7-9-18(10-8-16)23(25)13-4-14-23/h2-4,6-13,16H,5,14-15,26H2,1H3,(H,27,30);1-3,5-12,15H,4,13-14,24-25H2
InChIKeyXMALRWXFIWIGCQ-UHFFFAOYSA-N
XLogP9.55
TPSA141.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 59.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide?
The IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide (CID 66665081) is 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide.
What is the SMILES notation for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide?
The canonical SMILES for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide is CC(=O)Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1.Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1.
What is the InChIKey of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide?
The InChIKey is XMALRWXFIWIGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O.C23H22N4/c1-17(30)27-21-12-13-22-28-23(24(29(22)16-21)19-6-3-2-4-7-19)18-8-10-20(11-9-18)25(26)14-5-15-25;24-19-11-12-20-26-21(22(27(20)15-19)17-5-2-1-3-6-17)16-7-9-18(10-8-16)23(25)13-4-14-23/h2-4,6-13,16H,5,14-15,26H2,1H3,(H,27,30);1-3,5-12,15H,4,13-14,24-25H2.
What are the key properties of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide?
2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide has a molecular weight of 750.95 g/mol, XLogP of 9.55, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-6-yl]acetamide is sourced from PubChem (CID 66665081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).