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

C25H25FN6O2S — CID 67398597

IUPACN-[(2-fluorophenyl)methyl]-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)NCc5ccccc5F)cc34)cc2)CC1
InChIInChI=1S/C25H25FN6O2S/c1-31-10-12-32(13-11-31)18-8-6-16(7-9-18)23(33)28-22-19-14-21(35-25(19)30-29-22)24(34)27-15-17-4-2-3-5-20(17)26/h2-9,14H,10-13,15H2,1H3,(H,27,34)(H2,28,29,30,33)
InChIKeyPOPRZZWGLFVVLR-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.70
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67398597) has the molecular formula C25H25FN6O2S and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67398597
Molecular FormulaC25H25FN6O2S
Molecular Weight492.58 g/mol
Exact Mass492.17
IUPAC NameN-[(2-fluorophenyl)methyl]-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)NCc5ccccc5F)cc34)cc2)CC1
InChIInChI=1S/C25H25FN6O2S/c1-31-10-12-32(13-11-31)18-8-6-16(7-9-18)23(33)28-22-19-14-21(35-25(19)30-29-22)24(34)27-15-17-4-2-3-5-20(17)26/h2-9,14H,10-13,15H2,1H3,(H,27,34)(H2,28,29,30,33)
InChIKeyPOPRZZWGLFVVLR-UHFFFAOYSA-N
XLogP3.70
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 70968487
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399667
N-[5-[(4-fluoroanilino)-(2-methoxyethyl)carbamoyl]-2H-thieno[2,3-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 69370035
N-[(2,4-difluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11846528
(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-[amino(formyl)amino]-2H-thieno[2,3-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 174536044
3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399013
N-[(2-fluorophenyl)methyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46157742
3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398195
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-[(4-methylphenyl)methyl]-3-(pyridine-4-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67402095

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67398597) is N-[(2-fluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-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)NCc5ccccc5F)cc34)cc2)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is POPRZZWGLFVVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2S/c1-31-10-12-32(13-11-31)18-8-6-16(7-9-18)23(33)28-22-19-14-21(35-25(19)30-29-22)24(34)27-15-17-4-2-3-5-20(17)26/h2-9,14H,10-13,15H2,1H3,(H,27,34)(H2,28,29,30,33).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
N-[(2-fluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67398597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).