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

C97H103N15O14 — CID 159680242

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

(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-6-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-6-yl)methanone;methane;2-methyl-1-benzofuran-4-carboxylic acid;2-methyl-1-benzofuran-6-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 159680242) has the molecular formula C97H103N15O14 and a molecular weight of 1702.98 g/mol. Its IUPAC name is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-6-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-6-yl)methanone;methane;2-methyl-1-benzofuran-4-carboxylic acid;2-methyl-1-benzofuran-6-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

• Compound Name: (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-6-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-6-yl)methanone;methane;2-methyl-1-benzofuran-4-carboxylic acid;2-methyl-1-benzofuran-6-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine
• PubChem CID: 159680242
• Molecular Formula: C97H103N15O14
• Molecular Weight: 1702.98 g/mol
• Exact Mass: 1701.78
• IUPAC Name: (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-6-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-6-yl)methanone;methane;2-methyl-1-benzofuran-4-carboxylic acid;2-methyl-1-benzofuran-6-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine
• SMILES: C.C.Cc1cc2c(C(=O)O)cccc2o1.Cc1cc2c(C(=O)n3nc(N)c4c3CCCC4)cccc2o1.Cc1cc2c(C(=O)n3nc4c(c3N)CCCC4)cccc2o1.Cc1cc2ccc(C(=O)O)cc2o1.Cc1cc2ccc(C(=O)n3nc(N)c4c3CCCC4)cc2o1.Cc1cc2ccc(C(=O)n3nc4c(c3N)CCCC4)cc2o1.Nc1n[nH]c2c1CCCC2
• InChI: InChI=1S/4C17H17N3O2.2C10H8O3.C7H11N3.2CH4/c1-10-9-13-11(6-4-8-15(13)22-10)17(21)20-14-7-3-2-5-12(14)16(18)19-20;1-10-9-13-11(6-4-8-15(13)22-10)17(21)20-16(18)12-5-2-3-7-14(12)19-20;1-10-8-11-6-7-12(9-15(11)22-10)17(21)20-14-5-3-2-4-13(14)16(18)19-20;1-10-8-11-6-7-12(9-15(11)22-10)17(21)20-16(18)13-4-2-3-5-14(13)19-20;1-6-4-7-2-3-8(10(11)12)5-9(7)13-6;1-6-5-8-7(10(11)12)3-2-4-9(8)13-6;8-7-5-3-1-2-4-6(5)9-10-7;;/h4,6,8-9H,2-3,5,7H2,1H3,(H2,18,19);4,6,8-9H,2-3,5,7,18H2,1H3;6-9H,2-5H2,1H3,(H2,18,19);6-9H,2-5,18H2,1H3;2*2-5H,1H3,(H,11,12);1-4H2,(H3,8,9,10);2*1H4
• InChIKey: MVCTVTAOKIQKMJ-UHFFFAOYSA-N
• XLogP: 19.37
• TPSA: 451.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 6
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1702.98
LogP ≤ 5	19.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-6-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-6-yl)methanone;methane;2-methyl-1-benzofuran-4-carboxylic acid;2-methyl-1-benzofuran-6-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 159680242) is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-6-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-6-yl)methanone;methane;2-methyl-1-benzofuran-4-carboxylic acid;2-methyl-1-benzofuran-6-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)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-6-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-6-yl)methanone;methane;2-methyl-1-benzofuran-4-carboxylic acid;2-methyl-1-benzofuran-6-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine?

The canonical SMILES for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-6-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-6-yl)methanone;methane;2-methyl-1-benzofuran-4-carboxylic acid;2-methyl-1-benzofuran-6-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine is C.C.Cc1cc2c(C(=O)O)cccc2o1.Cc1cc2c(C(=O)n3nc(N)c4c3CCCC4)cccc2o1.Cc1cc2c(C(=O)n3nc4c(c3N)CCCC4)cccc2o1.Cc1cc2ccc(C(=O)O)cc2o1.Cc1cc2ccc(C(=O)n3nc(N)c4c3CCCC4)cc2o1.Cc1cc2ccc(C(=O)n3nc4c(c3N)CCCC4)cc2o1.Nc1n[nH]c2c1CCCC2.

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

The InChIKey is MVCTVTAOKIQKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H17N3O2.2C10H8O3.C7H11N3.2CH4/c1-10-9-13-11(6-4-8-15(13)22-10)17(21)20-14-7-3-2-5-12(14)16(18)19-20;1-10-9-13-11(6-4-8-15(13)22-10)17(21)20-16(18)12-5-2-3-7-14(12)19-20;1-10-8-11-6-7-12(9-15(11)22-10)17(21)20-14-5-3-2-4-13(14)16(18)19-20;1-10-8-11-6-7-12(9-15(11)22-10)17(21)20-16(18)13-4-2-3-5-14(13)19-20;1-6-4-7-2-3-8(10(11)12)5-9(7)13-6;1-6-5-8-7(10(11)12)3-2-4-9(8)13-6;8-7-5-3-1-2-4-6(5)9-10-7;;/h4,6,8-9H,2-3,5,7H2,1H3,(H2,18,19);4,6,8-9H,2-3,5,7,18H2,1H3;6-9H,2-5H2,1H3,(H2,18,19);6-9H,2-5,18H2,1H3;2*2-5H,1H3,(H,11,12);1-4H2,(H3,8,9,10);2*1H4.

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

(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-6-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-6-yl)methanone;methane;2-methyl-1-benzofuran-4-carboxylic acid;2-methyl-1-benzofuran-6-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 1702.98 g/mol, XLogP of 19.37, 6 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-benzofuran-6-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-benzofuran-6-yl)methanone;methane;2-methyl-1-benzofuran-4-carboxylic acid;2-methyl-1-benzofuran-6-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 159680242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).