1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

C107H118N24O7S3 — CID 165019396

About 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (PubChem CID 165019396) has the molecular formula C107H118N24O7S3 and a molecular weight of 1948.48 g/mol. Its IUPAC name is 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
• PubChem CID: 165019396
• Molecular Formula: C107H118N24O7S3
• Molecular Weight: 1948.48 g/mol
• Exact Mass: 1946.88
• IUPAC Name: 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
• SMILES: CCC(=O)N1CCc2c(C(C)C)nn(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1.CCC(=O)N1CCc2c(N3CCOCC3)nn(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCN(C(C)=O)CC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCS(=O)CC2)C1
• InChI: InChI=1S/C29H32N6O2S.C27H29N5O2S2.C26H29N7O2.C25H28N6O/c1-4-28(37)34-13-10-26-24(17-34)29(32-35(26)21-8-11-33(12-9-21)19(3)36)22-7-5-6-20-14-25(31-15-23(20)22)27-16-30-18(2)38-27;1-3-26(33)31-10-7-24-22(16-31)27(30-32(24)19-8-11-36(34)12-9-19)20-6-4-5-18-13-23(29-14-21(18)20)25-15-28-17(2)35-25;1-3-25(34)32-8-7-20-24(17-32)33(29-26(20)31-9-11-35-12-10-31)23-6-4-5-18-13-22(27-15-21(18)23)19-14-28-30(2)16-19;1-5-24(32)30-10-9-19-23(15-30)31(28-25(19)16(2)3)22-8-6-7-17-11-21(26-13-20(17)22)18-12-27-29(4)14-18/h5-7,14-16,21H,4,8-13,17H2,1-3H3;4-6,13-15,19H,3,7-12,16H2,1-2H3;4-6,13-16H,3,7-12,17H2,1-2H3;6-8,11-14,16H,5,9-10,15H2,1-4H3
• InChIKey: KXVZYDVVTJYSQK-UHFFFAOYSA-N
• XLogP: 17.11
• TPSA: 315.35 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1948.48
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

The IUPAC name of 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (CID 165019396) is 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

What is the SMILES notation for 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

The canonical SMILES for 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is CCC(=O)N1CCc2c(C(C)C)nn(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1.CCC(=O)N1CCc2c(N3CCOCC3)nn(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCN(C(C)=O)CC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCS(=O)CC2)C1.

What is the InChIKey of 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

The InChIKey is KXVZYDVVTJYSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2S.C27H29N5O2S2.C26H29N7O2.C25H28N6O/c1-4-28(37)34-13-10-26-24(17-34)29(32-35(26)21-8-11-33(12-9-21)19(3)36)22-7-5-6-20-14-25(31-15-23(20)22)27-16-30-18(2)38-27;1-3-26(33)31-10-7-24-22(16-31)27(30-32(24)19-8-11-36(34)12-9-19)20-6-4-5-18-13-23(29-14-21(18)20)25-15-28-17(2)35-25;1-3-25(34)32-8-7-20-24(17-32)33(29-26(20)31-9-11-35-12-10-31)23-6-4-5-18-13-22(27-15-21(18)23)19-14-28-30(2)16-19;1-5-24(32)30-10-9-19-23(15-30)31(28-25(19)16(2)3)22-8-6-7-17-11-21(26-13-20(17)22)18-12-27-29(4)14-18/h5-7,14-16,21H,4,8-13,17H2,1-3H3;4-6,13-15,19H,3,7-12,16H2,1-2H3;4-6,13-16H,3,7-12,17H2,1-2H3;6-8,11-14,16H,5,9-10,15H2,1-4H3.

What are the key properties of 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one has a molecular weight of 1948.48 g/mol, XLogP of 17.11, 16 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 165019396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).