(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine

C54H71N15O13S3 — CID 161235447

About (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-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)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine (PubChem CID 161235447) has the molecular formula C54H71N15O13S3 and a molecular weight of 1234.45 g/mol. Its IUPAC name is (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-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)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
• PubChem CID: 161235447
• Molecular Formula: C54H71N15O13S3
• Molecular Weight: 1234.45 g/mol
• Exact Mass: 1233.45
• IUPAC Name: (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
• SMILES: COc1cccc2c1NCCC2C(=O)O.COc1cccc2c1NCCC2C(=O)n1nc(N)c2c1CN(S(C)(=O)=O)CC2.COc1cccc2c1NCCC2C(=O)n1nc2c(c1N)CCN(S(C)(=O)=O)C2.CS(=O)(=O)N1CCc2c(N)n[nH]c2C1
• InChI: InChI=1S/2C18H23N5O4S.C11H13NO3.C7H12N4O2S/c1-27-15-5-3-4-11-12(6-8-20-16(11)15)18(24)23-14-10-22(28(2,25)26)9-7-13(14)17(19)21-23;1-27-15-5-3-4-11-12(6-8-20-16(11)15)18(24)23-17(19)13-7-9-22(28(2,25)26)10-14(13)21-23;1-15-9-4-2-3-7-8(11(13)14)5-6-12-10(7)9;1-14(12,13)11-3-2-5-6(4-11)9-10-7(5)8/h3-5,12,20H,6-10H2,1-2H3,(H2,19,21);3-5,12,20H,6-10,19H2,1-2H3;2-4,8,12H,5-6H2,1H3,(H,13,14);2-4H2,1H3,(H3,8,9,10)
• InChIKey: UZHNYNIDUHFXAQ-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 389.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1234.45
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-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)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine (CID 161235447) is (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-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)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-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)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine is COc1cccc2c1NCCC2C(=O)O.COc1cccc2c1NCCC2C(=O)n1nc(N)c2c1CN(S(C)(=O)=O)CC2.COc1cccc2c1NCCC2C(=O)n1nc2c(c1N)CCN(S(C)(=O)=O)C2.CS(=O)(=O)N1CCc2c(N)n[nH]c2C1.

What is the InChIKey of (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine?

The InChIKey is UZHNYNIDUHFXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H23N5O4S.C11H13NO3.C7H12N4O2S/c1-27-15-5-3-4-11-12(6-8-20-16(11)15)18(24)23-14-10-22(28(2,25)26)9-7-13(14)17(19)21-23;1-27-15-5-3-4-11-12(6-8-20-16(11)15)18(24)23-17(19)13-7-9-22(28(2,25)26)10-14(13)21-23;1-15-9-4-2-3-7-8(11(13)14)5-6-12-10(7)9;1-14(12,13)11-3-2-5-6(4-11)9-10-7(5)8/h3-5,12,20H,6-10H2,1-2H3,(H2,19,21);3-5,12,20H,6-10,19H2,1-2H3;2-4,8,12H,5-6H2,1H3,(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)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-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)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-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 1234.45 g/mol, XLogP of 3.05, 9 rotatable bonds, 8 hydrogen bond donors, and 23 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)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-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 161235447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).