3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide

C22H20FN5O2S — CID 176859930

IUPAC3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2csc(NC(=O)c3cn(C(C)C)nc3-c3ccccc3F)n2)n1
InChIInChI=1S/C22H20FN5O2S/c1-13(2)28-11-15(20(27-28)14-7-4-5-8-16(14)23)21(29)26-22-25-18(12-31-22)17-9-6-10-19(24-17)30-3/h4-13H,1-3H3,(H,25,26,29)
InChIKeySDUYIZCMOIRMTN-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.05
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide

3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 176859930) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID176859930
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC Name3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2csc(NC(=O)c3cn(C(C)C)nc3-c3ccccc3F)n2)n1
InChIInChI=1S/C22H20FN5O2S/c1-13(2)28-11-15(20(27-28)14-7-4-5-8-16(14)23)21(29)26-22-25-18(12-31-22)17-9-6-10-19(24-17)30-3/h4-13H,1-3H3,(H,25,26,29)
InChIKeySDUYIZCMOIRMTN-UHFFFAOYSA-N
XLogP5.05
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-Ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-thiazol-4-yl)-phenyl]-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135501101
3-(4-methoxyphenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
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3-(4-isobutoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
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3-(3-methoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
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N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
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1-(6-methoxypyridazin-3-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
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N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 155558974
US11306081, Example 086
CID 156361580
US11306081, Example 043
CID 156381202
3-(3,4-Dimethoxy-phenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid thiazol-2-ylamide
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N-[4-[1-amino-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 49792745
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide (CID 176859930) is 3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide is COc1cccc(-c2csc(NC(=O)c3cn(C(C)C)nc3-c3ccccc3F)n2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is SDUYIZCMOIRMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c1-13(2)28-11-15(20(27-28)14-7-4-5-8-16(14)23)21(29)26-22-25-18(12-31-22)17-9-6-10-19(24-17)30-3/h4-13H,1-3H3,(H,25,26,29).
What are the key properties of 3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 176859930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).