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

C22H17FN6OS — CID 176859024

IUPACN-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2nc(-c3cc(C#N)ccn3)cs2)c(-c2ccccc2F)n1
InChIInChI=1S/C22H17FN6OS/c1-13(2)29-11-16(20(28-29)15-5-3-4-6-17(15)23)21(30)27-22-26-19(12-31-22)18-9-14(10-24)7-8-25-18/h3-9,11-13H,1-2H3,(H,26,27,30)
InChIKeyPLIANRLTZPFKON-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.91
Rot. Bonds5

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

N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 176859024) has the molecular formula C22H17FN6OS and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID176859024
Molecular FormulaC22H17FN6OS
Molecular Weight432.48 g/mol
Exact Mass432.12
IUPAC NameN-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2nc(-c3cc(C#N)ccn3)cs2)c(-c2ccccc2F)n1
InChIInChI=1S/C22H17FN6OS/c1-13(2)29-11-16(20(28-29)15-5-3-4-6-17(15)23)21(30)27-22-26-19(12-31-22)18-9-14(10-24)7-8-25-18/h3-9,11-13H,1-2H3,(H,26,27,30)
InChIKeyPLIANRLTZPFKON-UHFFFAOYSA-N
XLogP4.91
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 176859886
N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-oxazole-5-carboxamide
CID 176859861
3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 86948216
3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4801011
2-(2-cyanophenyl)sulfanyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 16549637
3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108744422
3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 60551770
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide (CID 176859024) is N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)Nc2nc(-c3cc(C#N)ccn3)cs2)c(-c2ccccc2F)n1.
What is the InChIKey of N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is PLIANRLTZPFKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6OS/c1-13(2)29-11-16(20(28-29)15-5-3-4-6-17(15)23)21(30)27-22-26-19(12-31-22)18-9-14(10-24)7-8-25-18/h3-9,11-13H,1-2H3,(H,26,27,30).
What are the key properties of N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide?
N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 176859024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).