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

C25H25N7O2S — CID 70968487

IUPACN-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3[nH]nc4sc(C(=O)N/N=C/c5ccccc5)cc34)cc2)CC1
InChIInChI=1S/C25H25N7O2S/c1-31-11-13-32(14-12-31)19-9-7-18(8-10-19)23(33)27-22-20-15-21(35-25(20)30-28-22)24(34)29-26-16-17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,29,34)(H2,27,28,30,33)/b26-16+
InChIKeyCZEIVLTXJPVTAH-WGOQTCKBSA-N
MW487.59 g/mol
LogP3.39
Rot. Bonds6

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

N-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 70968487) has the molecular formula C25H25N7O2S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID70968487
Molecular FormulaC25H25N7O2S
Molecular Weight487.59 g/mol
Exact Mass487.18
IUPAC NameN-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3[nH]nc4sc(C(=O)N/N=C/c5ccccc5)cc34)cc2)CC1
InChIInChI=1S/C25H25N7O2S/c1-31-11-13-32(14-12-31)19-9-7-18(8-10-19)23(33)27-22-20-15-21(35-25(20)30-28-22)24(34)29-26-16-17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,29,34)(H2,27,28,30,33)/b26-16+
InChIKeyCZEIVLTXJPVTAH-WGOQTCKBSA-N
XLogP3.39
TPSA105.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399960
N-[(2-fluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398597
N-[5-[amino(formyl)amino]-2H-thieno[2,3-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 174536044
(4-chlorophenyl)-cyclobutyl-methyl-[[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carbonyl]amino]azanium
CID 91606286
N-[5-[(4-fluoroanilino)-(2-methoxyethyl)carbamoyl]-2H-thieno[2,3-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 69370035
3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide
CID 67399160
3-benzamido-N-propan-2-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398673
3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399013
3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(2-phenylpropan-2-yl)-2H-pyrazolo[4,3-d][1,3]thiazole-5-carboxamide
CID 24810365
3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398195
3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401659
N-benzhydryl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11846703

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 70968487) is N-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide is CN1CCN(c2ccc(C(=O)Nc3[nH]nc4sc(C(=O)N/N=C/c5ccccc5)cc34)cc2)CC1.
What is the InChIKey of N-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is CZEIVLTXJPVTAH-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H25N7O2S/c1-31-11-13-32(14-12-31)19-9-7-18(8-10-19)23(33)27-22-20-15-21(35-25(20)30-28-22)24(34)29-26-16-17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,29,34)(H2,27,28,30,33)/b26-16+.
What are the key properties of N-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
N-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 487.59 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 70968487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).