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

C26H24FN5O2S — CID 24535485

IUPAC1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c2nccn2C)cc1
InChIInChI=1S/C26H24FN5O2S/c1-16-21-14-22(35-26(21)32(30-16)15-17-4-8-19(27)9-5-17)25(33)29-23(24-28-12-13-31(24)2)18-6-10-20(34-3)11-7-18/h4-14,23H,15H2,1-3H3,(H,29,33)
InChIKeyGQWNWRLUVUCMSM-UHFFFAOYSA-N
MW489.58 g/mol
LogP4.86
Rot. Bonds7

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

1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 24535485) has the molecular formula C26H24FN5O2S and a molecular weight of 489.58 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID24535485
Molecular FormulaC26H24FN5O2S
Molecular Weight489.58 g/mol
Exact Mass489.16
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c2nccn2C)cc1
InChIInChI=1S/C26H24FN5O2S/c1-16-21-14-22(35-26(21)32(30-16)15-17-4-8-19(27)9-5-17)25(33)29-23(24-28-12-13-31(24)2)18-6-10-20(34-3)11-7-18/h4-14,23H,15H2,1-3H3,(H,29,33)
InChIKeyGQWNWRLUVUCMSM-UHFFFAOYSA-N
XLogP4.86
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 44522019
[3-(3-Methoxyphenyl)-1-methylthieno[2,3-c]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 3242220
N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 44522335
N-(2-(4-(6-(4-fluorophenyl)imidazo[2,1-b]thiazol-5-yl)pyrimidin-2-ylamino)ethyl)-4-methoxybenzamide
CID 60147936
N-((6-(4-fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)methyl)-6-methoxypyridazine-3-carboxamide
CID 71795878
N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 137655979
6-(4-methoxyphenyl)-3-methyl-N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)imidazo[2,1-b]thiazole-2-carboxamide
CID 49671201
N-(2-(2-(4-methoxyphenyl)thiazol-4-yl)ethyl)-6-(2-methyl-1H-imidazol-1-yl)pyridazine-3-carboxamide
CID 71791786
3-(4-ethoxyphenyl)-N-(2-(imidazo[2,1-b]thiazol-6-yl)phenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 76150432
4-isopropoxy-N-(2-(6-(thiophen-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)benzamide
CID 76148399
[(3R)-3-[[4-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 57463130
[(3R)-3-[[4-[6-(3,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 57590692

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 24535485) is 1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is COc1ccc(C(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c2nccn2C)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is GQWNWRLUVUCMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2S/c1-16-21-14-22(35-26(21)32(30-16)15-17-4-8-19(27)9-5-17)25(33)29-23(24-28-12-13-31(24)2)18-6-10-20(34-3)11-7-18/h4-14,23H,15H2,1-3H3,(H,29,33).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 24535485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).