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]-1-methylpyrazole-5-carboxamide

C22H21F2N7O2S — CID 90383417

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]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1-c1nc2n(n1)CCC(NC(=O)c1c(-c3nc(C(F)F)cs3)cnn1C)C2
InChIInChI=1S/C22H21F2N7O2S/c1-30-18(14(10-25-30)22-27-15(11-34-22)19(23)24)21(32)26-12-7-8-31-17(9-12)28-20(29-31)13-5-3-4-6-16(13)33-2/h3-6,10-12,19H,7-9H2,1-2H3,(H,26,32)
InChIKeyDLSZBKNDDKLMQQ-UHFFFAOYSA-N
MW485.52 g/mol
LogP3.49
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]-1-methylpyrazole-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]-1-methylpyrazole-5-carboxamide (PubChem CID 90383417) has the molecular formula C22H21F2N7O2S and a molecular weight of 485.52 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]-1-methylpyrazole-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]-1-methylpyrazole-5-carboxamide
PubChem CID90383417
Molecular FormulaC22H21F2N7O2S
Molecular Weight485.52 g/mol
Exact Mass485.14
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]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1-c1nc2n(n1)CCC(NC(=O)c1c(-c3nc(C(F)F)cs3)cnn1C)C2
InChIInChI=1S/C22H21F2N7O2S/c1-30-18(14(10-25-30)22-27-15(11-34-22)19(23)24)21(32)26-12-7-8-31-17(9-12)28-20(29-31)13-5-3-4-6-16(13)33-2/h3-6,10-12,19H,7-9H2,1-2H3,(H,26,32)
InChIKeyDLSZBKNDDKLMQQ-UHFFFAOYSA-N
XLogP3.49
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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]-1-methylpyrazole-5-carboxamide with MolForge

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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]-1-methylpyrazole-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]-1-methylpyrazole-5-carboxamide (CID 90383417) 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]-1-methylpyrazole-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]-1-methylpyrazole-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]-1-methylpyrazole-5-carboxamide is COc1ccccc1-c1nc2n(n1)CCC(NC(=O)c1c(-c3nc(C(F)F)cs3)cnn1C)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]-1-methylpyrazole-5-carboxamide?
The InChIKey is DLSZBKNDDKLMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O2S/c1-30-18(14(10-25-30)22-27-15(11-34-22)19(23)24)21(32)26-12-7-8-31-17(9-12)28-20(29-31)13-5-3-4-6-16(13)33-2/h3-6,10-12,19H,7-9H2,1-2H3,(H,26,32).
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]-1-methylpyrazole-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]-1-methylpyrazole-5-carboxamide has a molecular weight of 485.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 9 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]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).