N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C24H20F3N5OS — CID 24591282

IUPACN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC(C)c3nc4ccccc4n3C(F)F)cc12
InChIInChI=1S/C24H20F3N5OS/c1-13-17-11-20(34-23(17)31(30-13)12-15-7-9-16(25)10-8-15)22(33)28-14(2)21-29-18-5-3-4-6-19(18)32(21)24(26)27/h3-11,14,24H,12H2,1-2H3,(H,28,33)
InChIKeyQXMYGCSBKCCJPE-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.83
Rot. Bonds6

About N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 24591282) has the molecular formula C24H20F3N5OS and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID24591282
Molecular FormulaC24H20F3N5OS
Molecular Weight483.52 g/mol
Exact Mass483.13
IUPAC NameN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC(C)c3nc4ccccc4n3C(F)F)cc12
InChIInChI=1S/C24H20F3N5OS/c1-13-17-11-20(34-23(17)31(30-13)12-15-7-9-16(25)10-8-15)22(33)28-14(2)21-29-18-5-3-4-6-19(18)32(21)24(26)27/h3-11,14,24H,12H2,1-2H3,(H,28,33)
InChIKeyQXMYGCSBKCCJPE-UHFFFAOYSA-N
XLogP5.83
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 24591282) is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC(C)c3nc4ccccc4n3C(F)F)cc12.
What is the InChIKey of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is QXMYGCSBKCCJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5OS/c1-13-17-11-20(34-23(17)31(30-13)12-15-7-9-16(25)10-8-15)22(33)28-14(2)21-29-18-5-3-4-6-19(18)32(21)24(26)27/h3-11,14,24H,12H2,1-2H3,(H,28,33).
What are the key properties of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 24591282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).