2-[4-[3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[5-(3H-isoindol-1-ylamino)imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)sulfanyl]imidazo[1,5-c]pyrimidin-5-yl]amino]phenyl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-7-phenylimidazo[1,5-c]pyrimidin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-7-piperidin-1-ylimidazo[1,5-c]pyrimidin-5-amine

C98H93ClN30O3S3 — CID 160961810

About 2-[4-[3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[5-(3H-isoindol-1-ylamino)imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)sulfanyl]imidazo[1,5-c]pyrimidin-5-yl]amino]phenyl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-7-phenylimidazo[1,5-c]pyrimidin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-7-piperidin-1-ylimidazo[1,5-c]pyrimidin-5-amine

2-[4-[3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[5-(3H-isoindol-1-ylamino)imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)sulfanyl]imidazo[1,5-c]pyrimidin-5-yl]amino]phenyl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-7-phenylimidazo[1,5-c]pyrimidin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-7-piperidin-1-ylimidazo[1,5-c]pyrimidin-5-amine (PubChem CID 160961810) has the molecular formula C98H93ClN30O3S3 and a molecular weight of 1870.68 g/mol. Its IUPAC name is 2-[4-[3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[5-(3H-isoindol-1-ylamino)imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)sulfanyl]imidazo[1,5-c]pyrimidin-5-yl]amino]phenyl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-7-phenylimidazo[1,5-c]pyrimidin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-7-piperidin-1-ylimidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 2-[4-[3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[5-(3H-isoindol-1-ylamino)imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)sulfanyl]imidazo[1,5-c]pyrimidin-5-yl]amino]phenyl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-7-phenylimidazo[1,5-c]pyrimidin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-7-piperidin-1-ylimidazo[1,5-c]pyrimidin-5-amine
• PubChem CID: 160961810
• Molecular Formula: C98H93ClN30O3S3
• Molecular Weight: 1870.68 g/mol
• Exact Mass: 1868.69
• IUPAC Name: 2-[4-[3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[5-(3H-isoindol-1-ylamino)imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)sulfanyl]imidazo[1,5-c]pyrimidin-5-yl]amino]phenyl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-7-phenylimidazo[1,5-c]pyrimidin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-7-piperidin-1-ylimidazo[1,5-c]pyrimidin-5-amine
• SMILES: Cc1cc(Nc2nc(-c3ccccc3)cc3cncn23)n[nH]1.Cc1cc(Nc2nc(N3CCCCC3)cc3cncn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)cc3cnc(Cl)n23)n[nH]1.Cc1cc(Sc2cc3cncn3c(Nc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.O=C(Cc1ccc(Sc2cc3cncn3c(NC3=NCc4ccccc43)n2)cc1)C1CC1
• InChI: InChI=1S/C25H21N5OS.C21H19ClN6OS.C21H20N6OS.C16H14N6.C15H19N7/c31-22(17-7-8-17)11-16-5-9-20(10-6-16)32-23-12-19-14-26-15-30(19)25(28-23)29-24-21-4-2-1-3-18(21)13-27-24;1-12-8-18(27-26-12)24-21-25-19(10-15-11-23-20(22)28(15)21)30-16-6-2-13(3-7-16)9-17(29)14-4-5-14;1-13-8-20(26-25-13)29-19-10-17-11-22-12-27(17)21(24-19)23-16-6-2-14(3-7-16)9-18(28)15-4-5-15;1-11-7-15(21-20-11)19-16-18-14(12-5-3-2-4-6-12)8-13-9-17-10-22(13)16;1-11-7-13(20-19-11)17-15-18-14(21-5-3-2-4-6-21)8-12-9-16-10-22(12)15/h1-6,9-10,12,14-15,17H,7-8,11,13H2,(H,27,28,29);2-3,6-8,10-11,14H,4-5,9H2,1H3,(H2,24,25,26,27);2-3,6-8,10-12,15H,4-5,9H2,1H3,(H,23,24)(H,25,26);2-10H,1H3,(H2,18,19,20,21);7-10H,2-6H2,1H3,(H2,17,18,19,20)
• InChIKey: SXCIIFXWCWFHIB-UHFFFAOYSA-N
• XLogP: 19.45
• TPSA: 392.63 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1870.68
LogP ≤ 5	19.45
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[5-(3H-isoindol-1-ylamino)imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)sulfanyl]imidazo[1,5-c]pyrimidin-5-yl]amino]phenyl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-7-phenylimidazo[1,5-c]pyrimidin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-7-piperidin-1-ylimidazo[1,5-c]pyrimidin-5-amine?

The IUPAC name of 2-[4-[3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[5-(3H-isoindol-1-ylamino)imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)sulfanyl]imidazo[1,5-c]pyrimidin-5-yl]amino]phenyl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-7-phenylimidazo[1,5-c]pyrimidin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-7-piperidin-1-ylimidazo[1,5-c]pyrimidin-5-amine (CID 160961810) is 2-[4-[3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[5-(3H-isoindol-1-ylamino)imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)sulfanyl]imidazo[1,5-c]pyrimidin-5-yl]amino]phenyl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-7-phenylimidazo[1,5-c]pyrimidin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-7-piperidin-1-ylimidazo[1,5-c]pyrimidin-5-amine.

What is the SMILES notation for 2-[4-[3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[5-(3H-isoindol-1-ylamino)imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)sulfanyl]imidazo[1,5-c]pyrimidin-5-yl]amino]phenyl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-7-phenylimidazo[1,5-c]pyrimidin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-7-piperidin-1-ylimidazo[1,5-c]pyrimidin-5-amine?

The canonical SMILES for 2-[4-[3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[5-(3H-isoindol-1-ylamino)imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)sulfanyl]imidazo[1,5-c]pyrimidin-5-yl]amino]phenyl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-7-phenylimidazo[1,5-c]pyrimidin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-7-piperidin-1-ylimidazo[1,5-c]pyrimidin-5-amine is Cc1cc(Nc2nc(-c3ccccc3)cc3cncn23)n[nH]1.Cc1cc(Nc2nc(N3CCCCC3)cc3cncn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)cc3cnc(Cl)n23)n[nH]1.Cc1cc(Sc2cc3cncn3c(Nc3ccc(CC(=O)C4CC4)cc3)n2)n[nH]1.O=C(Cc1ccc(Sc2cc3cncn3c(NC3=NCc4ccccc43)n2)cc1)C1CC1.

What is the InChIKey of 2-[4-[3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[5-(3H-isoindol-1-ylamino)imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)sulfanyl]imidazo[1,5-c]pyrimidin-5-yl]amino]phenyl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-7-phenylimidazo[1,5-c]pyrimidin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-7-piperidin-1-ylimidazo[1,5-c]pyrimidin-5-amine?

The InChIKey is SXCIIFXWCWFHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5OS.C21H19ClN6OS.C21H20N6OS.C16H14N6.C15H19N7/c31-22(17-7-8-17)11-16-5-9-20(10-6-16)32-23-12-19-14-26-15-30(19)25(28-23)29-24-21-4-2-1-3-18(21)13-27-24;1-12-8-18(27-26-12)24-21-25-19(10-15-11-23-20(22)28(15)21)30-16-6-2-13(3-7-16)9-17(29)14-4-5-14;1-13-8-20(26-25-13)29-19-10-17-11-22-12-27(17)21(24-19)23-16-6-2-14(3-7-16)9-18(28)15-4-5-15;1-11-7-15(21-20-11)19-16-18-14(12-5-3-2-4-6-12)8-13-9-17-10-22(13)16;1-11-7-13(20-19-11)17-15-18-14(21-5-3-2-4-6-21)8-12-9-16-10-22(12)15/h1-6,9-10,12,14-15,17H,7-8,11,13H2,(H,27,28,29);2-3,6-8,10-11,14H,4-5,9H2,1H3,(H2,24,25,26,27);2-3,6-8,10-12,15H,4-5,9H2,1H3,(H,23,24)(H,25,26);2-10H,1H3,(H2,18,19,20,21);7-10H,2-6H2,1H3,(H2,17,18,19,20).

What are the key properties of 2-[4-[3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[5-(3H-isoindol-1-ylamino)imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)sulfanyl]imidazo[1,5-c]pyrimidin-5-yl]amino]phenyl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-7-phenylimidazo[1,5-c]pyrimidin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-7-piperidin-1-ylimidazo[1,5-c]pyrimidin-5-amine?

2-[4-[3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[5-(3H-isoindol-1-ylamino)imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)sulfanyl]imidazo[1,5-c]pyrimidin-5-yl]amino]phenyl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-7-phenylimidazo[1,5-c]pyrimidin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-7-piperidin-1-ylimidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 1870.68 g/mol, XLogP of 19.45, 26 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[5-(3H-isoindol-1-ylamino)imidazo[1,5-c]pyrimidin-7-yl]sulfanylphenyl]ethanone;1-cyclopropyl-2-[4-[[7-[(5-methyl-1H-pyrazol-3-yl)sulfanyl]imidazo[1,5-c]pyrimidin-5-yl]amino]phenyl]ethanone;N-(5-methyl-1H-pyrazol-3-yl)-7-phenylimidazo[1,5-c]pyrimidin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-7-piperidin-1-ylimidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 160961810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).