(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride

C51H60ClF3N12O4 — CID 159685737

About (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride

(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride (PubChem CID 159685737) has the molecular formula C51H60ClF3N12O4 and a molecular weight of 997.57 g/mol. Its IUPAC name is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride.

Molecular Properties

• Compound Name: (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride
• PubChem CID: 159685737
• Molecular Formula: C51H60ClF3N12O4
• Molecular Weight: 997.57 g/mol
• Exact Mass: 996.45
• IUPAC Name: (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride
• SMILES: Cl.Nc1c2c(nn1C(=O)C1CCNc3cc(F)ccc31)CCCC2.Nc1n[nH]c2c1CCCC2.Nc1nn(C(=O)C2CCNc3cc(F)ccc32)c2c1CCCC2.O=C(O)C1CCNc2cc(F)ccc21
• InChI: InChI=1S/2C17H19FN4O.C10H10FNO2.C7H11N3.ClH/c18-10-5-6-11-12(7-8-20-14(11)9-10)17(23)22-15-4-2-1-3-13(15)16(19)21-22;18-10-5-6-11-12(7-8-20-15(11)9-10)17(23)22-16(19)13-3-1-2-4-14(13)21-22;11-6-1-2-7-8(10(13)14)3-4-12-9(7)5-6;8-7-5-3-1-2-4-6(5)9-10-7;/h5-6,9,12,20H,1-4,7-8H2,(H2,19,21);5-6,9,12,20H,1-4,7-8,19H2;1-2,5,8,12H,3-4H2,(H,13,14);1-4H2,(H3,8,9,10);1H
• InChIKey: OKPHILPVEHMFOO-UHFFFAOYSA-N
• XLogP: 8.55
• TPSA: 249.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 3
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	997.57
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride?

The IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride (CID 159685737) is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride.

What is the SMILES notation for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride?

The canonical SMILES for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride is Cl.Nc1c2c(nn1C(=O)C1CCNc3cc(F)ccc31)CCCC2.Nc1n[nH]c2c1CCCC2.Nc1nn(C(=O)C2CCNc3cc(F)ccc32)c2c1CCCC2.O=C(O)C1CCNc2cc(F)ccc21.

What is the InChIKey of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride?

The InChIKey is OKPHILPVEHMFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H19FN4O.C10H10FNO2.C7H11N3.ClH/c18-10-5-6-11-12(7-8-20-14(11)9-10)17(23)22-15-4-2-1-3-13(15)16(19)21-22;18-10-5-6-11-12(7-8-20-15(11)9-10)17(23)22-16(19)13-3-1-2-4-14(13)21-22;11-6-1-2-7-8(10(13)14)3-4-12-9(7)5-6;8-7-5-3-1-2-4-6(5)9-10-7;/h5-6,9,12,20H,1-4,7-8H2,(H2,19,21);5-6,9,12,20H,1-4,7-8,19H2;1-2,5,8,12H,3-4H2,(H,13,14);1-4H2,(H3,8,9,10);1H.

What are the key properties of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride?

(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride has a molecular weight of 997.57 g/mol, XLogP of 8.55, 3 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride is sourced from PubChem (CID 159685737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).