(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine

C51H62F3N15O10S3 — CID 159292182

About (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine

(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine (PubChem CID 159292182) has the molecular formula C51H62F3N15O10S3 and a molecular weight of 1198.35 g/mol. Its IUPAC name is (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine.

Molecular Properties

• Compound Name: (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
• PubChem CID: 159292182
• Molecular Formula: C51H62F3N15O10S3
• Molecular Weight: 1198.35 g/mol
• Exact Mass: 1197.39
• IUPAC Name: (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
• SMILES: CS(=O)(=O)N1CCc2c(N)n[nH]c2C1.CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc43)c2C1.CS(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4ccc(F)cc43)c2N)C1.O=C(O)C1CCNc2ccc(F)cc21
• InChI: InChI=1S/2C17H20FN5O3S.C10H10FNO2.C7H12N4O2S/c1-27(25,26)22-7-5-12-15(9-22)23(21-16(12)19)17(24)11-4-6-20-14-3-2-10(18)8-13(11)14;1-27(25,26)22-7-5-12-15(9-22)21-23(16(12)19)17(24)11-4-6-20-14-3-2-10(18)8-13(11)14;11-6-1-2-9-8(5-6)7(10(13)14)3-4-12-9;1-14(12,13)11-3-2-5-6(4-11)9-10-7(5)8/h2-3,8,11,20H,4-7,9H2,1H3,(H2,19,21);2-3,8,11,20H,4-7,9,19H2,1H3;1-2,5,7,12H,3-4H2,(H,13,14);2-4H2,1H3,(H3,8,9,10)
• InChIKey: LAGNOCSDAFPNPP-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 362.05 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 6
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1198.35
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine?

The IUPAC name of (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine (CID 159292182) is (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine.

What is the SMILES notation for (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine?

The canonical SMILES for (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine is CS(=O)(=O)N1CCc2c(N)n[nH]c2C1.CS(=O)(=O)N1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc43)c2C1.CS(=O)(=O)N1CCc2c(nn(C(=O)C3CCNc4ccc(F)cc43)c2N)C1.O=C(O)C1CCNc2ccc(F)cc21.

What is the InChIKey of (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine?

The InChIKey is LAGNOCSDAFPNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H20FN5O3S.C10H10FNO2.C7H12N4O2S/c1-27(25,26)22-7-5-12-15(9-22)23(21-16(12)19)17(24)11-4-6-20-14-3-2-10(18)8-13(11)14;1-27(25,26)22-7-5-12-15(9-22)21-23(16(12)19)17(24)11-4-6-20-14-3-2-10(18)8-13(11)14;11-6-1-2-9-8(5-6)7(10(13)14)3-4-12-9;1-14(12,13)11-3-2-5-6(4-11)9-10-7(5)8/h2-3,8,11,20H,4-7,9H2,1H3,(H2,19,21);2-3,8,11,20H,4-7,9,19H2,1H3;1-2,5,7,12H,3-4H2,(H,13,14);2-4H2,1H3,(H3,8,9,10).

What are the key properties of (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine?

(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine has a molecular weight of 1198.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine is sourced from PubChem (CID 159292182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).