2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C26H20F3N7OS — CID 70865283

IUPAC2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2c(c1-c1nc(-c3ccccc3)c(-c3ncn[nH]3)s1)C=C(OCc1ccc(C(F)(F)F)nc1)CC2
InChIInChI=1S/C26H20F3N7OS/c1-15-21(25-33-22(17-5-3-2-4-6-17)23(38-25)24-31-14-32-34-24)19-11-18(9-10-36(19)35-15)37-13-16-7-8-20(30-12-16)26(27,28)29/h2-8,11-12,14H,9-10,13H2,1H3,(H,31,32,34)
InChIKeyRPKDKKJHFSSTQO-UHFFFAOYSA-N
MW535.56 g/mol
LogP6.14
Rot. Bonds6

About 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 70865283) has the molecular formula C26H20F3N7OS and a molecular weight of 535.56 g/mol. Its IUPAC name is 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID70865283
Molecular FormulaC26H20F3N7OS
Molecular Weight535.56 g/mol
Exact Mass535.14
IUPAC Name2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2c(c1-c1nc(-c3ccccc3)c(-c3ncn[nH]3)s1)C=C(OCc1ccc(C(F)(F)F)nc1)CC2
InChIInChI=1S/C26H20F3N7OS/c1-15-21(25-33-22(17-5-3-2-4-6-17)23(38-25)24-31-14-32-34-24)19-11-18(9-10-36(19)35-15)37-13-16-7-8-20(30-12-16)26(27,28)29/h2-8,11-12,14H,9-10,13H2,1H3,(H,31,32,34)
InChIKeyRPKDKKJHFSSTQO-UHFFFAOYSA-N
XLogP6.14
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.56
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 70865283) is 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is Cc1nn2c(c1-c1nc(-c3ccccc3)c(-c3ncn[nH]3)s1)C=C(OCc1ccc(C(F)(F)F)nc1)CC2.
What is the InChIKey of 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is RPKDKKJHFSSTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N7OS/c1-15-21(25-33-22(17-5-3-2-4-6-17)23(38-25)24-31-14-32-34-24)19-11-18(9-10-36(19)35-15)37-13-16-7-8-20(30-12-16)26(27,28)29/h2-8,11-12,14H,9-10,13H2,1H3,(H,31,32,34).
What are the key properties of 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 535.56 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-6,7-dihydropyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 70865283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).