1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide

C22H18FN5O2S — CID 55736541

IUPAC1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC(C)c3ccc4[nH]c(=O)[nH]c4c3)cc12
InChIInChI=1S/C22H18FN5O2S/c1-11(13-3-8-17-18(9-13)26-22(30)25-17)24-20(29)19-10-16-12(2)27-28(21(16)31-19)15-6-4-14(23)5-7-15/h3-11H,1-2H3,(H,24,29)(H2,25,26,30)
InChIKeyUBGWANJNKXBSIC-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.20
Rot. Bonds4

About 1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide

1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 55736541) has the molecular formula C22H18FN5O2S and a molecular weight of 435.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID55736541
Molecular FormulaC22H18FN5O2S
Molecular Weight435.48 g/mol
Exact Mass435.12
IUPAC Name1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC(C)c3ccc4[nH]c(=O)[nH]c4c3)cc12
InChIInChI=1S/C22H18FN5O2S/c1-11(13-3-8-17-18(9-13)26-22(30)25-17)24-20(29)19-10-16-12(2)27-28(21(16)31-19)15-6-4-14(23)5-7-15/h3-11H,1-2H3,(H,24,29)(H2,25,26,30)
InChIKeyUBGWANJNKXBSIC-UHFFFAOYSA-N
XLogP4.20
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 95053217
1-(4-fluorophenyl)-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 55433332
3-methyl-1-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096780
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096781
N-(3-aminobutyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119494763
methyl 3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 134015748
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561
N-(3-aminopropyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119404788
2-methylpropyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 39903158
methyl 2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]acetate
CID 27682291
N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8885373
N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 134014767

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 55736541) is 1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC(C)c3ccc4[nH]c(=O)[nH]c4c3)cc12.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is UBGWANJNKXBSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2S/c1-11(13-3-8-17-18(9-13)26-22(30)25-17)24-20(29)19-10-16-12(2)27-28(21(16)31-19)15-6-4-14(23)5-7-15/h3-11H,1-2H3,(H,24,29)(H2,25,26,30).
What are the key properties of 1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide?
1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 55736541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).