bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyridin-8-amine

C105H88N18O4S — CID 159336301

About bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyridin-8-amine

bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyridin-8-amine (PubChem CID 159336301) has the molecular formula C105H88N18O4S and a molecular weight of 1698.05 g/mol. Its IUPAC name is bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyridin-8-amine.

Molecular Properties

• Compound Name: bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyridin-8-amine
• PubChem CID: 159336301
• Molecular Formula: C105H88N18O4S
• Molecular Weight: 1698.05 g/mol
• Exact Mass: 1696.70
• IUPAC Name: bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyridin-8-amine
• SMILES: NC(=O)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)cccn23)C1.NC(=O)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)cccn23)C1.Nc1cccn2c(C3CC(C(=O)O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1cccn2c(C3CCC3)nc(-c3ccc4ccc(-c5cccs5)nc4c3)c12
• InChI: InChI=1S/2C27H23N5O.C27H22N4O2.C24H20N4S/c2*28-21-7-4-12-32-25(21)24(31-27(32)20-13-19(14-20)26(29)33)18-9-8-17-10-11-22(30-23(17)15-18)16-5-2-1-3-6-16;28-21-7-4-12-31-25(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;25-18-6-2-12-28-23(18)22(27-24(28)16-4-1-5-16)17-9-8-15-10-11-19(26-20(15)14-17)21-7-3-13-29-21/h2*1-12,15,19-20H,13-14,28H2,(H2,29,33);1-12,15,19-20H,13-14,28H2,(H,32,33);2-3,6-14,16H,1,4-5,25H2
• InChIKey: LFOSSSZJLCAMOS-UHFFFAOYSA-N
• XLogP: 21.06
• TPSA: 348.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1698.05
LogP ≤ 5	21.06
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyridin-8-amine?

The IUPAC name of bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyridin-8-amine (CID 159336301) is bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyridin-8-amine.

What is the SMILES notation for bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyridin-8-amine?

The canonical SMILES for bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyridin-8-amine is NC(=O)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)cccn23)C1.NC(=O)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)cccn23)C1.Nc1cccn2c(C3CC(C(=O)O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1cccn2c(C3CCC3)nc(-c3ccc4ccc(-c5cccs5)nc4c3)c12.

What is the InChIKey of bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyridin-8-amine?

The InChIKey is LFOSSSZJLCAMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H23N5O.C27H22N4O2.C24H20N4S/c2*28-21-7-4-12-32-25(21)24(31-27(32)20-13-19(14-20)26(29)33)18-9-8-17-10-11-22(30-23(17)15-18)16-5-2-1-3-6-16;28-21-7-4-12-31-25(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;25-18-6-2-12-28-23(18)22(27-24(28)16-4-1-5-16)17-9-8-15-10-11-19(26-20(15)14-17)21-7-3-13-29-21/h2*1-12,15,19-20H,13-14,28H2,(H2,29,33);1-12,15,19-20H,13-14,28H2,(H,32,33);2-3,6-14,16H,1,4-5,25H2.

What are the key properties of bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyridin-8-amine?

bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyridin-8-amine has a molecular weight of 1698.05 g/mol, XLogP of 21.06, 15 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxamide);3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclobutane-1-carboxylic acid;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 159336301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).