4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide

C21H19F2N7O2S — CID 144691469

IUPAC4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1nc2n(n1)CCC(NC(=O)c1[nH]ncc1-c1nc(C(F)F)cs1)C2
InChIInChI=1S/C21H19F2N7O2S/c1-32-15-5-3-2-4-12(15)19-27-16-8-11(6-7-30(16)29-19)25-20(31)17-13(9-24-28-17)21-26-14(10-33-21)18(22)23/h2-5,9-11,18H,6-8H2,1H3,(H,24,28)(H,25,31)
InChIKeyUXVYPSKXRPLSHE-UHFFFAOYSA-N
MW471.49 g/mol
LogP3.48
Rot. Bonds6

About 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide

4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide (PubChem CID 144691469) has the molecular formula C21H19F2N7O2S and a molecular weight of 471.49 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
PubChem CID144691469
Molecular FormulaC21H19F2N7O2S
Molecular Weight471.49 g/mol
Exact Mass471.13
IUPAC Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1nc2n(n1)CCC(NC(=O)c1[nH]ncc1-c1nc(C(F)F)cs1)C2
InChIInChI=1S/C21H19F2N7O2S/c1-32-15-5-3-2-4-12(15)19-27-16-8-11(6-7-30(16)29-19)25-20(31)17-13(9-24-28-17)21-26-14(10-33-21)18(22)23/h2-5,9-11,18H,6-8H2,1H3,(H,24,28)(H,25,31)
InChIKeyUXVYPSKXRPLSHE-UHFFFAOYSA-N
XLogP3.48
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

Pyrazole scaffold, 13
CID 25218469
US9777000, Example 3.16
CID 90383350
US9777000, Example 3.21
CID 90383351
US9777000, Example 5.34
CID 90383417
5-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 16003332
1-[4-[(2-aminopropanoylamino)methyl]-1,3-thiazol-2-yl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 25216416
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine
CID 70889975
5-methyl-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxamide
CID 89526696
2,5-dimethyl-N-[6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 89526856
4-propan-2-yl-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-2-carboxamide
CID 89526870
N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
CID 89526901
2-methyl-N-[6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 89527130

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide (CID 144691469) is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide is COc1ccccc1-c1nc2n(n1)CCC(NC(=O)c1[nH]ncc1-c1nc(C(F)F)cs1)C2.
What is the InChIKey of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is UXVYPSKXRPLSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O2S/c1-32-15-5-3-2-4-12(15)19-27-16-8-11(6-7-30(16)29-19)25-20(31)17-13(9-24-28-17)21-26-14(10-33-21)18(22)23/h2-5,9-11,18H,6-8H2,1H3,(H,24,28)(H,25,31).
What are the key properties of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 471.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 144691469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).