5-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide

C22H20FN5O2S — CID 176859421

IUPAC5-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2csc(NC(=O)c3cnn(C(C)C)c3-c3ccccc3F)n2)n1
InChIInChI=1S/C22H20FN5O2S/c1-13(2)28-20(14-7-4-5-8-16(14)23)15(11-24-28)21(29)27-22-26-18(12-31-22)17-9-6-10-19(25-17)30-3/h4-13H,1-3H3,(H,26,27,29)
InChIKeyCHJFMRHONCJVOO-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.05
Rot. Bonds6

About 5-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide

5-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 176859421) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID176859421
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC Name5-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2csc(NC(=O)c3cnn(C(C)C)c3-c3ccccc3F)n2)n1
InChIInChI=1S/C22H20FN5O2S/c1-13(2)28-20(14-7-4-5-8-16(14)23)15(11-24-28)21(29)27-22-26-18(12-31-22)17-9-6-10-19(25-17)30-3/h4-13H,1-3H3,(H,26,27,29)
InChIKeyCHJFMRHONCJVOO-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

Analyze 5-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1068314
3-(4-isobutoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 1287415
3-(3-methoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 2201062
1-(6-methoxypyridazin-3-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 25511356
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
CID 1068317
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
CID 155522950
N-[4-[amino-(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 155539507
N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 155560353

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide (CID 176859421) is 5-(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 5-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide is COc1cccc(-c2csc(NC(=O)c3cnn(C(C)C)c3-c3ccccc3F)n2)n1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is CHJFMRHONCJVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c1-13(2)28-20(14-7-4-5-8-16(14)23)15(11-24-28)21(29)27-22-26-18(12-31-22)17-9-6-10-19(25-17)30-3/h4-13H,1-3H3,(H,26,27,29).
What are the key properties of 5-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
5-(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 5-(2-fluorophenyl)-N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 176859421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).