3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one

C25H23FN6O3S — CID 66856108

IUPAC3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one
SMILESCOc1cccc(F)c1-c1nc(-c2c(C)[nH]n3ccc(=O)cc23)sc1-c1ncn(C2CCCCO2)n1
InChIInChI=1S/C25H23FN6O3S/c1-14-20(17-12-15(33)9-10-31(17)29-14)25-28-22(21-16(26)6-5-7-18(21)34-2)23(36-25)24-27-13-32(30-24)19-8-3-4-11-35-19/h5-7,9-10,12-13,19,29H,3-4,8,11H2,1-2H3
InChIKeyZBMMYODNVNYTBY-UHFFFAOYSA-N
MW506.56 g/mol
LogP4.83
Rot. Bonds5

About 3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one

3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one (PubChem CID 66856108) has the molecular formula C25H23FN6O3S and a molecular weight of 506.56 g/mol. Its IUPAC name is 3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one
PubChem CID66856108
Molecular FormulaC25H23FN6O3S
Molecular Weight506.56 g/mol
Exact Mass506.15
IUPAC Name3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one
SMILESCOc1cccc(F)c1-c1nc(-c2c(C)[nH]n3ccc(=O)cc23)sc1-c1ncn(C2CCCCO2)n1
InChIInChI=1S/C25H23FN6O3S/c1-14-20(17-12-15(33)9-10-31(17)29-14)25-28-22(21-16(26)6-5-7-18(21)34-2)23(36-25)24-27-13-32(30-24)19-8-3-4-11-35-19/h5-7,9-10,12-13,19,29H,3-4,8,11H2,1-2H3
InChIKeyZBMMYODNVNYTBY-UHFFFAOYSA-N
XLogP4.83
TPSA99.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one with MolForge

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Related Compounds

2-[5-(2-chloroethoxy)-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
CID 66855394
2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
CID 66855151
2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
CID 58094803
CID 88984131
CID 88984131
4-(2-fluoro-6-methoxyphenyl)-3,11λ6-dithia-5-azatricyclo[6.2.1.02,6]undeca-2(6),4-diene 11,11-dioxide
CID 167869303
ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole
CID 144574984
2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol
CID 175183046
N-(2,3-dimethoxyphenyl)-2-fluoro-9-(oxepan-2-yl)purin-6-amine
CID 162440937
N-(2-chloro-3-methoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine
CID 146575313
4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(1R,2S)-2-hydroxycyclopentyl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452352
4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452438
N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 59579083

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one?
The IUPAC name of 3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one (CID 66856108) is 3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one is COc1cccc(F)c1-c1nc(-c2c(C)[nH]n3ccc(=O)cc23)sc1-c1ncn(C2CCCCO2)n1.
What is the InChIKey of 3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one?
The InChIKey is ZBMMYODNVNYTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O3S/c1-14-20(17-12-15(33)9-10-31(17)29-14)25-28-22(21-16(26)6-5-7-18(21)34-2)23(36-25)24-27-13-32(30-24)19-8-3-4-11-35-19/h5-7,9-10,12-13,19,29H,3-4,8,11H2,1-2H3.
What are the key properties of 3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one?
3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one has a molecular weight of 506.56 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoro-6-methoxyphenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 66856108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).