4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

C22H17F2N7O2S — CID 90383350

IUPAC4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1-c1nc2cc(NC(=O)c3c(-c4nc(C(F)F)cs4)cnn3C)ccn2n1
InChIInChI=1S/C22H17F2N7O2S/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/h3-11,19H,1-2H3,(H,26,32)
InChIKeyQVLZWQYIPJUQSJ-UHFFFAOYSA-N
MW481.49 g/mol
LogP4.45
Rot. Bonds6

About 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-[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)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 90383350) has the molecular formula C22H17F2N7O2S and a molecular weight of 481.49 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-[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)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID90383350
Molecular FormulaC22H17F2N7O2S
Molecular Weight481.49 g/mol
Exact Mass481.11
IUPAC Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1-c1nc2cc(NC(=O)c3c(-c4nc(C(F)F)cs4)cnn3C)ccn2n1
InChIInChI=1S/C22H17F2N7O2S/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/h3-11,19H,1-2H3,(H,26,32)
InChIKeyQVLZWQYIPJUQSJ-UHFFFAOYSA-N
XLogP4.45
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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)-[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)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 90383350) is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-[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)-[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)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is COc1ccccc1-c1nc2cc(NC(=O)c3c(-c4nc(C(F)F)cs4)cnn3C)ccn2n1.
What is the InChIKey of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is QVLZWQYIPJUQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N7O2S/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/h3-11,19H,1-2H3,(H,26,32).
What are the key properties of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-methoxyphenyl)-[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)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 481.49 g/mol, XLogP of 4.45, 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)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).