3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C99H84ClN21OS — CID 158679566

About 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 158679566) has the molecular formula C99H84ClN21OS and a molecular weight of 1651.43 g/mol. Its IUPAC name is 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 158679566
• Molecular Formula: C99H84ClN21OS
• Molecular Weight: 1651.43 g/mol
• Exact Mass: 1649.66
• IUPAC Name: 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
• SMILES: CC(C)(C)c1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12.NC(=O)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.Nc1nccn2c(C3CCC3)nc(-c3cc4nc(-c5ccccc5)ccc4cc3Cl)c12.Nc1nccn2c(C3CCC3)nc(-c3ccc4ccc(-c5cccs5)nc4c3)c12
• InChI: InChI=1S/C26H22N6O.C25H20ClN5.C25H23N5.C23H19N5S/c27-24-23-22(31-26(32(23)11-10-29-24)19-12-18(13-19)25(28)33)17-7-6-16-8-9-20(30-21(16)14-17)15-4-2-1-3-5-15;26-19-13-17-9-10-20(15-5-2-1-3-6-15)29-21(17)14-18(19)22-23-24(27)28-11-12-31(23)25(30-22)16-7-4-8-16;1-25(2,3)24-29-21(22-23(26)27-13-14-30(22)24)18-10-9-17-11-12-19(28-20(17)15-18)16-7-5-4-6-8-16;24-22-21-20(27-23(15-3-1-4-15)28(21)11-10-25-22)16-7-6-14-8-9-17(26-18(14)13-16)19-5-2-12-29-19/h1-11,14,18-19H,12-13H2,(H2,27,29)(H2,28,33);1-3,5-6,9-14,16H,4,7-8H2,(H2,27,28);4-15H,1-3H3,(H2,26,27);2,5-13,15H,1,3-4H2,(H2,24,25)
• InChIKey: IEYGGRUTMXJILA-UHFFFAOYSA-N
• XLogP: 21.30
• TPSA: 319.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1651.43
LogP ≤ 5	21.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 158679566) is 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is CC(C)(C)c1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12.NC(=O)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.Nc1nccn2c(C3CCC3)nc(-c3cc4nc(-c5ccccc5)ccc4cc3Cl)c12.Nc1nccn2c(C3CCC3)nc(-c3ccc4ccc(-c5cccs5)nc4c3)c12.

What is the InChIKey of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

The InChIKey is IEYGGRUTMXJILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O.C25H20ClN5.C25H23N5.C23H19N5S/c27-24-23-22(31-26(32(23)11-10-29-24)19-12-18(13-19)25(28)33)17-7-6-16-8-9-20(30-21(16)14-17)15-4-2-1-3-5-15;26-19-13-17-9-10-20(15-5-2-1-3-6-15)29-21(17)14-18(19)22-23-24(27)28-11-12-31(23)25(30-22)16-7-4-8-16;1-25(2,3)24-29-21(22-23(26)27-13-14-30(22)24)18-10-9-17-11-12-19(28-20(17)15-18)16-7-5-4-6-8-16;24-22-21-20(27-23(15-3-1-4-15)28(21)11-10-25-22)16-7-6-14-8-9-17(26-18(14)13-16)19-5-2-12-29-19/h1-11,14,18-19H,12-13H2,(H2,27,29)(H2,28,33);1-3,5-6,9-14,16H,4,7-8H2,(H2,27,28);4-15H,1-3H3,(H2,26,27);2,5-13,15H,1,3-4H2,(H2,24,25).

What are the key properties of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?

3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1651.43 g/mol, XLogP of 21.30, 12 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide;3-tert-butyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(6-chloro-2-phenylquinolin-7-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 158679566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).