1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C25H22FN5O2S — CID 55454125

IUPAC1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1cccc(C(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c2nccn2C)c1
InChIInChI=1S/C25H22FN5O2S/c1-15-20-14-21(34-25(20)31(29-15)18-9-7-17(26)8-10-18)24(32)28-22(23-27-11-12-30(23)2)16-5-4-6-19(13-16)33-3/h4-14,22H,1-3H3,(H,28,32)
InChIKeyBBWLROJYMWSIPD-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.80
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 55454125) has the molecular formula C25H22FN5O2S and a molecular weight of 475.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID55454125
Molecular FormulaC25H22FN5O2S
Molecular Weight475.55 g/mol
Exact Mass475.15
IUPAC Name1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1cccc(C(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c2nccn2C)c1
InChIInChI=1S/C25H22FN5O2S/c1-15-20-14-21(34-25(20)31(29-15)18-9-7-17(26)8-10-18)24(32)28-22(23-27-11-12-30(23)2)16-5-4-6-19(13-16)33-3/h4-14,22H,1-3H3,(H,28,32)
InChIKeyBBWLROJYMWSIPD-UHFFFAOYSA-N
XLogP4.80
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 55454125) is 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is COc1cccc(C(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c2nccn2C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is BBWLROJYMWSIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2S/c1-15-20-14-21(34-25(20)31(29-15)18-9-7-17(26)8-10-18)24(32)28-22(23-27-11-12-30(23)2)16-5-4-6-19(13-16)33-3/h4-14,22H,1-3H3,(H,28,32).
What are the key properties of 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 55454125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).