(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride

C51H69Cl4N11O4 — CID 157154035

About (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride

(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride (PubChem CID 157154035) has the molecular formula C51H69Cl4N11O4 and a molecular weight of 1042.00 g/mol. Its IUPAC name is (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride.

Molecular Properties

• Compound Name: (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride
• PubChem CID: 157154035
• Molecular Formula: C51H69Cl4N11O4
• Molecular Weight: 1042.00 g/mol
• Exact Mass: 1039.43
• IUPAC Name: (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride
• SMILES: C.C.Cl.Nc1c2c(nn1C(=O)C1CCCc3[nH]c(Cl)cc31)CCCC2.Nc1c2c(nn1C(=O)[C@H]1CCCc3[nH]c(Cl)cc31)CCCC2.Nc1n[nH]c2c1CCCC2.O=C(O)C1CCCC2=C1C=C(Cl)C2
• InChI: InChI=1S/2C16H19ClN4O.C10H11ClO2.C7H11N3.2CH4.ClH/c2*17-14-8-11-9(5-3-7-12(11)19-14)16(22)21-15(18)10-4-1-2-6-13(10)20-21;11-7-4-6-2-1-3-8(10(12)13)9(6)5-7;8-7-5-3-1-2-4-6(5)9-10-7;;;/h2*8-9,19H,1-7,18H2;5,8H,1-4H2,(H,12,13);1-4H2,(H3,8,9,10);2*1H4;1H/t9-;;;;;;/m0....../s1
• InChIKey: XKNJKJFWOHDPQC-KWQBZIKXSA-N
• XLogP: 11.43
• TPSA: 245.40 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1042.00
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride?

The IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride (CID 157154035) is (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride.

What is the SMILES notation for (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride?

The canonical SMILES for (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride is C.C.Cl.Nc1c2c(nn1C(=O)C1CCCc3[nH]c(Cl)cc31)CCCC2.Nc1c2c(nn1C(=O)[C@H]1CCCc3[nH]c(Cl)cc31)CCCC2.Nc1n[nH]c2c1CCCC2.O=C(O)C1CCCC2=C1C=C(Cl)C2.

What is the InChIKey of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride?

The InChIKey is XKNJKJFWOHDPQC-KWQBZIKXSA-N. The full InChI is InChI=1S/2C16H19ClN4O.C10H11ClO2.C7H11N3.2CH4.ClH/c2*17-14-8-11-9(5-3-7-12(11)19-14)16(22)21-15(18)10-4-1-2-6-13(10)20-21;11-7-4-6-2-1-3-8(10(12)13)9(6)5-7;8-7-5-3-1-2-4-6(5)9-10-7;;;/h2*8-9,19H,1-7,18H2;5,8H,1-4H2,(H,12,13);1-4H2,(H3,8,9,10);2*1H4;1H/t9-;;;;;;/m0....../s1.

What are the key properties of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride?

(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride has a molecular weight of 1042.00 g/mol, XLogP of 11.43, 3 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-2-chloro-4,5,6,7-tetrahydro-1H-indol-4-yl]methanone;2-chloro-4,5,6,7-tetrahydro-1H-indene-4-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride is sourced from PubChem (CID 157154035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).