N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride

C32H44Cl2N6O4 — CID 140691690

About N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride

N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride (PubChem CID 140691690) has the molecular formula C32H44Cl2N6O4 and a molecular weight of 647.65 g/mol. Its IUPAC name is N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride
• PubChem CID: 140691690
• Molecular Formula: C32H44Cl2N6O4
• Molecular Weight: 647.65 g/mol
• Exact Mass: 646.28
• IUPAC Name: N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride
• SMILES: CCCC(=O)c1cnn(C2CCC(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(Cl)cc34)CC2)c1C.Cl
• InChI: InChI=1S/C32H43ClN6O4.ClH/c1-4-5-30(40)27-19-34-39(22(27)2)25-9-7-24(8-10-25)35-32(42)28-20-38(29-11-6-23(33)18-26(28)29)21-31(41)37-14-12-36(13-15-37)16-17-43-3;/h6,11,18-20,24-25H,4-5,7-10,12-17,21H2,1-3H3,(H,35,42);1H
• InChIKey: QOIXVQLHSRXRFK-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 101.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	647.65
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride?

The IUPAC name of N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride (CID 140691690) is N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride.

What is the SMILES notation for N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride?

The canonical SMILES for N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride is CCCC(=O)c1cnn(C2CCC(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(Cl)cc34)CC2)c1C.Cl.

What is the InChIKey of N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride?

The InChIKey is QOIXVQLHSRXRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43ClN6O4.ClH/c1-4-5-30(40)27-19-34-39(22(27)2)25-9-7-24(8-10-25)35-32(42)28-20-38(29-11-6-23(33)18-26(28)29)21-31(41)37-14-12-36(13-15-37)16-17-43-3;/h6,11,18-20,24-25H,4-5,7-10,12-17,21H2,1-3H3,(H,35,42);1H.

What are the key properties of N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride?

N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride has a molecular weight of 647.65 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 140691690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).