N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide

C31H30N6O2S — CID 11846703

IUPACN-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)NC(c5ccccc5)c5ccccc5)sc34)cc2)CC1
InChIInChI=1S/C31H30N6O2S/c1-36-16-18-37(19-17-36)24-14-12-23(13-15-24)30(38)33-29-28-25(34-35-29)20-26(40-28)31(39)32-27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,27H,16-19H2,1H3,(H,32,39)(H2,33,34,35,38)
InChIKeyVQIGSXZPOJLZGU-UHFFFAOYSA-N
MW550.69 g/mol
LogP5.15
Rot. Bonds7

About N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide

N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide (PubChem CID 11846703) has the molecular formula C31H30N6O2S and a molecular weight of 550.69 g/mol. Its IUPAC name is N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
PubChem CID11846703
Molecular FormulaC31H30N6O2S
Molecular Weight550.69 g/mol
Exact Mass550.22
IUPAC NameN-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)NC(c5ccccc5)c5ccccc5)sc34)cc2)CC1
InChIInChI=1S/C31H30N6O2S/c1-36-16-18-37(19-17-36)24-14-12-23(13-15-24)30(38)33-29-28-25(34-35-29)20-26(40-28)31(39)32-27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,27H,16-19H2,1H3,(H,32,39)(H2,33,34,35,38)
InChIKeyVQIGSXZPOJLZGU-UHFFFAOYSA-N
XLogP5.15
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.69
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide with MolForge

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Related Compounds

3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-[(1R)-1-phenylpropyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11846878
3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847344
methyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxylate
CID 68825056
3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847024
N-[(2,4-difluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11846528
3-[(4-fluorobenzoyl)amino]-N-propan-2-yl-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 68826626
N-[(4-fluorophenyl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847194
4-(4-methylpiperazin-1-yl)-N-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216
N-[(3-fluorophenyl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847193
4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244124
N-benzyl-3-[(4-fluorobenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 68824358
N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584307

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
The IUPAC name of N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide (CID 11846703) is N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
The canonical SMILES for N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide is CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)NC(c5ccccc5)c5ccccc5)sc34)cc2)CC1.
What is the InChIKey of N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
The InChIKey is VQIGSXZPOJLZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O2S/c1-36-16-18-37(19-17-36)24-14-12-23(13-15-24)30(38)33-29-28-25(34-35-29)20-26(40-28)31(39)32-27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,27H,16-19H2,1H3,(H,32,39)(H2,33,34,35,38).
What are the key properties of N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide has a molecular weight of 550.69 g/mol, XLogP of 5.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide is sourced from PubChem (CID 11846703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).