(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methylindol-4-yl)methanone;methane;1-methylindole-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine

C52H60N12O4 — CID 161331389

About (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methylindol-4-yl)methanone;methane;1-methylindole-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine

(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methylindol-4-yl)methanone;methane;1-methylindole-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 161331389) has the molecular formula C52H60N12O4 and a molecular weight of 917.13 g/mol. Its IUPAC name is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methylindol-4-yl)methanone;methane;1-methylindole-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

• Compound Name: (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methylindol-4-yl)methanone;methane;1-methylindole-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine
• PubChem CID: 161331389
• Molecular Formula: C52H60N12O4
• Molecular Weight: 917.13 g/mol
• Exact Mass: 916.49
• IUPAC Name: (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methylindol-4-yl)methanone;methane;1-methylindole-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine
• SMILES: C.Cn1ccc2c(C(=O)O)cccc21.Cn1ccc2c(C(=O)n3nc(N)c4c3CCCC4)cccc21.Cn1ccc2c(C(=O)n3nc4c(c3N)CCCC4)cccc21.Nc1n[nH]c2c1CCCC2
• InChI: InChI=1S/2C17H18N4O.C10H9NO2.C7H11N3.CH4/c1-20-10-9-11-12(6-4-8-14(11)20)17(22)21-15-7-3-2-5-13(15)16(18)19-21;1-20-10-9-11-12(6-4-8-15(11)20)17(22)21-16(18)13-5-2-3-7-14(13)19-21;1-11-6-5-7-8(10(12)13)3-2-4-9(7)11;8-7-5-3-1-2-4-6(5)9-10-7;/h4,6,8-10H,2-3,5,7H2,1H3,(H2,18,19);4,6,8-10H,2-3,5,7,18H2,1H3;2-6H,1H3,(H,12,13);1-4H2,(H3,8,9,10);1H4
• InChIKey: VLLRPFVVEBNOEX-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 228.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 3
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	917.13
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methylindol-4-yl)methanone;methane;1-methylindole-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 161331389) is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methylindol-4-yl)methanone;methane;1-methylindole-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine.

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

The canonical SMILES for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methylindol-4-yl)methanone;methane;1-methylindole-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine is C.Cn1ccc2c(C(=O)O)cccc21.Cn1ccc2c(C(=O)n3nc(N)c4c3CCCC4)cccc21.Cn1ccc2c(C(=O)n3nc4c(c3N)CCCC4)cccc21.Nc1n[nH]c2c1CCCC2.

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

The InChIKey is VLLRPFVVEBNOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H18N4O.C10H9NO2.C7H11N3.CH4/c1-20-10-9-11-12(6-4-8-14(11)20)17(22)21-15-7-3-2-5-13(15)16(18)19-21;1-20-10-9-11-12(6-4-8-15(11)20)17(22)21-16(18)13-5-2-3-7-14(13)19-21;1-11-6-5-7-8(10(12)13)3-2-4-9(7)11;8-7-5-3-1-2-4-6(5)9-10-7;/h4,6,8-10H,2-3,5,7H2,1H3,(H2,18,19);4,6,8-10H,2-3,5,7,18H2,1H3;2-6H,1H3,(H,12,13);1-4H2,(H3,8,9,10);1H4.

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

(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methylindol-4-yl)methanone;methane;1-methylindole-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 917.13 g/mol, XLogP of 8.43, 3 rotatable bonds, 5 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)-(1-methylindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(1-methylindol-4-yl)methanone;methane;1-methylindole-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 161331389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).