2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide

C24H21BrN4O — CID 66665522

IUPAC2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide
SMILESNC(=O)c1cc(Br)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12
InChIInChI=1S/C24H21BrN4O/c25-18-13-19(22(26)30)23-28-20(21(29(23)14-18)16-5-2-1-3-6-16)15-7-9-17(10-8-15)24(27)11-4-12-24/h1-3,5-10,13-14H,4,11-12,27H2,(H2,26,30)
InChIKeyVQUHRMBRIIYMST-UHFFFAOYSA-N
MW461.36 g/mol
LogP4.87
Rot. Bonds4

About 2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide

2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 66665522) has the molecular formula C24H21BrN4O and a molecular weight of 461.36 g/mol. Its IUPAC name is 2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID66665522
Molecular FormulaC24H21BrN4O
Molecular Weight461.36 g/mol
Exact Mass460.09
IUPAC Name2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide
SMILESNC(=O)c1cc(Br)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12
InChIInChI=1S/C24H21BrN4O/c25-18-13-19(22(26)30)23-28-20(21(29(23)14-18)16-5-2-1-3-6-16)15-7-9-17(10-8-15)24(27)11-4-12-24/h1-3,5-10,13-14H,4,11-12,27H2,(H2,26,30)
InChIKeyVQUHRMBRIIYMST-UHFFFAOYSA-N
XLogP4.87
TPSA86.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.36
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(8-fluoro-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutan-1-amine
CID 56644616
2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazine-6,8-dicarboxamide;tert-butyl N-[1-[4-(6,8-dicarbamoyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamate
CID 160930040
1-[4-(8-cyclopropyl-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutan-1-amine
CID 56644826
1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
CID 66665212
2-[4-(1-aminocyclobutyl)phenyl]-3-phenyl-N-propylimidazo[1,2-a]pyridine-6-carboxamide
CID 66665901
1-[4-[7-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
CID 56644192
2-[4-(1-aminocyclobutyl)phenyl]-N-methyl-3-phenylimidazo[1,2-a]pyridin-7-amine
CID 123220669
2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazole-7-carboxylic acid
CID 118221665
1-[4-[6-(1H-imidazol-5-yl)-3-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
CID 66669251
1-[4-(6-methoxy-7,8-dimethyl-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
CID 70818207
1-[4-(6,8-diethoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
CID 70818486
1-[4-(6-ethyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutan-1-amine
CID 70817988

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide (CID 66665522) is 2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide is NC(=O)c1cc(Br)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12.
What is the InChIKey of 2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is VQUHRMBRIIYMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4O/c25-18-13-19(22(26)30)23-28-20(21(29(23)14-18)16-5-2-1-3-6-16)15-7-9-17(10-8-15)24(27)11-4-12-24/h1-3,5-10,13-14H,4,11-12,27H2,(H2,26,30).
What are the key properties of 2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide?
2-[4-(1-aminocyclobutyl)phenyl]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 461.36 g/mol, XLogP of 4.87, 4 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]-6-bromo-3-phenylimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 66665522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).