2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid

C24H21N3O2 — CID 56644830

IUPAC2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESNC1(c2ccc(-c3nc4ccc(C(=O)O)cn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C24H21N3O2/c25-24(13-4-14-24)19-10-7-16(8-11-19)21-22(17-5-2-1-3-6-17)27-15-18(23(28)29)9-12-20(27)26-21/h1-3,5-12,15H,4,13-14,25H2,(H,28,29)
InChIKeyKVAOMOBHQYDUCN-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.70
Rot. Bonds4

About 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid

2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 56644830) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID56644830
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESNC1(c2ccc(-c3nc4ccc(C(=O)O)cn4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C24H21N3O2/c25-24(13-4-14-24)19-10-7-16(8-11-19)21-22(17-5-2-1-3-6-17)27-15-18(23(28)29)9-12-20(27)26-21/h1-3,5-12,15H,4,13-14,25H2,(H,28,29)
InChIKeyKVAOMOBHQYDUCN-UHFFFAOYSA-N
XLogP4.70
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.70
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-phenylimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid (CID 56644830) is 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid is NC1(c2ccc(-c3nc4ccc(C(=O)O)cn4c3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is KVAOMOBHQYDUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c25-24(13-4-14-24)19-10-7-16(8-11-19)21-22(17-5-2-1-3-6-17)27-15-18(23(28)29)9-12-20(27)26-21/h1-3,5-12,15H,4,13-14,25H2,(H,28,29).
What are the key properties of 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid?
2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 383.45 g/mol, XLogP of 4.70, 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]-3-phenylimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 56644830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).