2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide

C48H46N8O — CID 66665967

IUPAC2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide
SMILESCC(=O)Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1.Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1
InChIInChI=1S/C25H24N4O.C23H22N4/c1-17(30)27-21-12-15-29-22(16-21)28-23(24(29)19-6-3-2-4-7-19)18-8-10-20(11-9-18)25(26)13-5-14-25;24-19-11-14-27-20(15-19)26-21(22(27)17-5-2-1-3-6-17)16-7-9-18(10-8-16)23(25)12-4-13-23/h2-4,6-12,15-16H,5,13-14,26H2,1H3,(H,27,30);1-3,5-11,14-15H,4,12-13,24-25H2
InChIKeyCZSCPFJAHJJOSC-UHFFFAOYSA-N
MW750.95 g/mol
LogP9.55
Rot. Bonds7

About 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide

2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide (PubChem CID 66665967) 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-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide
PubChem CID66665967
Molecular FormulaC48H46N8O
Molecular Weight750.95 g/mol
Exact Mass750.38
IUPAC Name2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide
SMILESCC(=O)Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1.Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1
InChIInChI=1S/C25H24N4O.C23H22N4/c1-17(30)27-21-12-15-29-22(16-21)28-23(24(29)19-6-3-2-4-7-19)18-8-10-20(11-9-18)25(26)13-5-14-25;24-19-11-14-27-20(15-19)26-21(22(27)17-5-2-1-3-6-17)16-7-9-18(10-8-16)23(25)12-4-13-23/h2-4,6-12,15-16H,5,13-14,26H2,1H3,(H,27,30);1-3,5-11,14-15H,4,12-13,24-25H2
InChIKeyCZSCPFJAHJJOSC-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-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide with MolForge

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Related Compounds

Miransertib
CID 53262401
Vevorisertib
CID 71138858
Imidazopyridine 12a
CID 5329347
Imidazopyridine 12b
CID 5329348
Imidazopyridine 12c
CID 5329349
(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one
CID 131964682
1-(azetidin-1-yl)-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanone
CID 44431993
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 44431994
(2S)-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylpropanamide
CID 44431995
4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-phenylpyrimidin-2-amine
CID 44431999
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}propionamide
CID 44444862
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}butyramide
CID 44444864

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide?
The IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide (CID 66665967) is 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide.
What is the SMILES notation for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide?
The canonical SMILES for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide is CC(=O)Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1.Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1.
What is the InChIKey of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide?
The InChIKey is CZSCPFJAHJJOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O.C23H22N4/c1-17(30)27-21-12-15-29-22(16-21)28-23(24(29)19-6-3-2-4-7-19)18-8-10-20(11-9-18)25(26)13-5-14-25;24-19-11-14-27-20(15-19)26-21(22(27)17-5-2-1-3-6-17)16-7-9-18(10-8-16)23(25)12-4-13-23/h2-4,6-12,15-16H,5,13-14,26H2,1H3,(H,27,30);1-3,5-11,14-15H,4,12-13,24-25H2.
What are the key properties of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide?
2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-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-7-amine;N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridin-7-yl]acetamide is sourced from PubChem (CID 66665967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).