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

C52H60F6N12O4 — CID 157348334

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

[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-1-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(5R)-5-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-amine;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;methane (PubChem CID 157348334) has the molecular formula C52H60F6N12O4 and a molecular weight of 1031.12 g/mol. Its IUPAC name is [(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-1-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(5R)-5-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-amine;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;methane.

Molecular Properties

• Compound Name: [(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-1-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(5R)-5-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-amine;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;methane
• PubChem CID: 157348334
• Molecular Formula: C52H60F6N12O4
• Molecular Weight: 1031.12 g/mol
• Exact Mass: 1030.48
• IUPAC Name: [(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-1-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(5R)-5-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-amine;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;methane
• SMILES: C.Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CC[C@@H](F)C2.Nc1n[nH]c2c1C[C@H](F)CC2.Nc1nn(C(=O)C2CCNc3ccc(F)cc32)c2c1C[C@H](F)CC2.O=C(O)C1CCNc2ccc(F)cc21
• InChI: InChI=1S/2C17H18F2N4O.C10H10FNO2.C7H10FN3.CH4/c18-9-1-3-14-12(7-9)11(5-6-21-14)17(24)23-15-4-2-10(19)8-13(15)16(20)22-23;18-9-1-3-14-12(7-9)11(5-6-21-14)17(24)23-16(20)13-8-10(19)2-4-15(13)22-23;11-6-1-2-9-8(5-6)7(10(13)14)3-4-12-9;8-4-1-2-6-5(3-4)7(9)11-10-6;/h1,3,7,10-11,21H,2,4-6,8H2,(H2,20,22);1,3,7,10-11,21H,2,4-6,8,20H2;1-2,5,7,12H,3-4H2,(H,13,14);4H,1-3H2,(H3,9,10,11);1H4/t2*10-,11?;;4-;/m11.1./s1
• InChIKey: BHFUENLNMDWWSQ-PDZUEOFISA-N
• XLogP: 8.61
• TPSA: 249.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 3
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1031.12
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of [(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-1-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(5R)-5-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-amine;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;methane (CID 157348334) is [(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-1-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(5R)-5-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-amine;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;methane.

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

The canonical SMILES for [(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-1-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(5R)-5-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-amine;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;methane is C.Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CC[C@@H](F)C2.Nc1n[nH]c2c1C[C@H](F)CC2.Nc1nn(C(=O)C2CCNc3ccc(F)cc32)c2c1C[C@H](F)CC2.O=C(O)C1CCNc2ccc(F)cc21.

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

The InChIKey is BHFUENLNMDWWSQ-PDZUEOFISA-N. The full InChI is InChI=1S/2C17H18F2N4O.C10H10FNO2.C7H10FN3.CH4/c18-9-1-3-14-12(7-9)11(5-6-21-14)17(24)23-15-4-2-10(19)8-13(15)16(20)22-23;18-9-1-3-14-12(7-9)11(5-6-21-14)17(24)23-16(20)13-8-10(19)2-4-15(13)22-23;11-6-1-2-9-8(5-6)7(10(13)14)3-4-12-9;8-4-1-2-6-5(3-4)7(9)11-10-6;/h1,3,7,10-11,21H,2,4-6,8H2,(H2,20,22);1,3,7,10-11,21H,2,4-6,8,20H2;1-2,5,7,12H,3-4H2,(H,13,14);4H,1-3H2,(H3,9,10,11);1H4/t2*10-,11?;;4-;/m11.1./s1.

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

[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-1-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(5R)-5-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-amine;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;methane has a molecular weight of 1031.12 g/mol, XLogP of 8.61, 3 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-1-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(5R)-5-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-amine;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;methane is sourced from PubChem (CID 157348334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).