2-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C26H19F2N7OS — CID 91188443

IUPAC2-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2ccc(OCc3ccc(C(F)F)nc3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C26H19F2N7OS/c1-15-21(26-32-22(17-5-3-2-4-6-17)23(37-26)25-30-14-31-33-25)20-11-18(9-10-35(20)34-15)36-13-16-7-8-19(24(27)28)29-12-16/h2-12,14,24H,13H2,1H3,(H,30,31,33)
InChIKeyBWDGSWDDZPCSTL-UHFFFAOYSA-N
MW515.55 g/mol
LogP6.13
Rot. Bonds7

About 2-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

2-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 91188443) has the molecular formula C26H19F2N7OS and a molecular weight of 515.55 g/mol. Its IUPAC name is 2-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID91188443
Molecular FormulaC26H19F2N7OS
Molecular Weight515.55 g/mol
Exact Mass515.13
IUPAC Name2-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2ccc(OCc3ccc(C(F)F)nc3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C26H19F2N7OS/c1-15-21(26-32-22(17-5-3-2-4-6-17)23(37-26)25-30-14-31-33-25)20-11-18(9-10-35(20)34-15)36-13-16-7-8-19(24(27)28)29-12-16/h2-12,14,24H,13H2,1H3,(H,30,31,33)
InChIKeyBWDGSWDDZPCSTL-UHFFFAOYSA-N
XLogP6.13
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.55
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N2-(4-(benzo[d]thiazol-2-yl)-3-methoxyphenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44564788
4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine
CID 70686991
4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine
CID 70689058
4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine
CID 70693281
N-[(4-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70695371
3-(1-Methylpyrazol-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2,2,2-trifluoroethoxy)quinoline
CID 86292318
5-[2-[3-[7-cyclohexyl-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]-4-methyl-thiazole
CID 15957994
5-[[4-[7-cyclohexyl-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-thiazole
CID 15958036
2-[4-(Difluoromethoxy)phenyl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 19589477
4-({3-[9-(Difluoromethyl)-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl}oxy)benzonitrile
CID 19589837
9-(Difluoromethyl)-2-{3-[(2,4-dimethylphenoxy)methyl]phenyl}-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 19589892
9-(Difluoromethyl)-2-{3-[(2,4-difluorophenoxy)methyl]phenyl}-7-methylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 19590197

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 91188443) is 2-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[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-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is Cc1nn2ccc(OCc3ccc(C(F)F)nc3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 2-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is BWDGSWDDZPCSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N7OS/c1-15-21(26-32-22(17-5-3-2-4-6-17)23(37-26)25-30-14-31-33-25)20-11-18(9-10-35(20)34-15)36-13-16-7-8-19(24(27)28)29-12-16/h2-12,14,24H,13H2,1H3,(H,30,31,33).
What are the key properties of 2-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
2-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 515.55 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 91188443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).