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

C25H26N6O2S — CID 11846197

IUPACN-benzyl-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)NCc5ccccc5)sc34)cc2)CC1
InChIInChI=1S/C25H26N6O2S/c1-30-11-13-31(14-12-30)19-9-7-18(8-10-19)24(32)27-23-22-20(28-29-23)15-21(34-22)25(33)26-16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H,26,33)(H2,27,28,29,32)
InChIKeyPNCYEXRWXPIGPC-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.56
Rot. Bonds6

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

N-benzyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide (PubChem CID 11846197) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-benzyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
PubChem CID11846197
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC NameN-benzyl-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)NCc5ccccc5)sc34)cc2)CC1
InChIInChI=1S/C25H26N6O2S/c1-30-11-13-31(14-12-30)19-9-7-18(8-10-19)24(32)27-23-22-20(28-29-23)15-21(34-22)25(33)26-16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H,26,33)(H2,27,28,29,32)
InChIKeyPNCYEXRWXPIGPC-UHFFFAOYSA-N
XLogP3.56
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide (CID 11846197) is N-benzyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-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)NCc5ccccc5)sc34)cc2)CC1.
What is the InChIKey of N-benzyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
The InChIKey is PNCYEXRWXPIGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S/c1-30-11-13-31(14-12-30)19-9-7-18(8-10-19)24(32)27-23-22-20(28-29-23)15-21(34-22)25(33)26-16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H,26,33)(H2,27,28,29,32).
What are the key properties of N-benzyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
N-benzyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide is sourced from PubChem (CID 11846197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).