3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid

C27H22N4O2 — CID 59827884

IUPAC3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid
SMILESNc1cccn2c(C3CC(C(=O)O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C27H22N4O2/c28-21-7-4-12-31-25(21)24(30-26(31)19-13-20(14-19)27(32)33)18-9-8-17-10-11-22(29-23(17)15-18)16-5-2-1-3-6-16/h1-12,15,19-20H,13-14,28H2,(H,32,33)
InChIKeyAVSRVNJOSSIAFQ-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.38
Rot. Bonds4

About 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid

3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid (PubChem CID 59827884) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid
PubChem CID59827884
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC Name3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid
SMILESNc1cccn2c(C3CC(C(=O)O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C27H22N4O2/c28-21-7-4-12-31-25(21)24(30-26(31)19-13-20(14-19)27(32)33)18-9-8-17-10-11-22(29-23(17)15-18)16-5-2-1-3-6-16/h1-12,15,19-20H,13-14,28H2,(H,32,33)
InChIKeyAVSRVNJOSSIAFQ-UHFFFAOYSA-N
XLogP5.38
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid (CID 59827884) is 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid is Nc1cccn2c(C3CC(C(=O)O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid?
The InChIKey is AVSRVNJOSSIAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c28-21-7-4-12-31-25(21)24(30-26(31)19-13-20(14-19)27(32)33)18-9-8-17-10-11-22(29-23(17)15-18)16-5-2-1-3-6-16/h1-12,15,19-20H,13-14,28H2,(H,32,33).
What are the key properties of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid?
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid has a molecular weight of 434.50 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 59827884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).