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

IUPACN-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride
SMILESCCCC(=O)c1cnn(C2CCC(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(Cl)cc34)CC2)c1C.Cl
InChIInChI=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
InChIKeyQOIXVQLHSRXRFK-UHFFFAOYSA-N
MW647.65 g/mol
LogP4.91
Rot. Bonds11

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 NameN-[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 CID140691690
Molecular FormulaC32H44Cl2N6O4
Molecular Weight647.65 g/mol
Exact Mass646.28
IUPAC NameN-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide;hydrochloride
SMILESCCCC(=O)c1cnn(C2CCC(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(Cl)cc34)CC2)c1C.Cl
InChIInChI=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
InChIKeyQOIXVQLHSRXRFK-UHFFFAOYSA-N
XLogP4.91
TPSA101.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500647.65
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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).