8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C23H21F3N6 — CID 58397989

IUPAC8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(N2CCC(Cc3nc4c(-c5ccc(F)c(F)c5)cc(F)cn4n3)CC2)ncn1
InChIInChI=1S/C23H21F3N6/c1-14-8-22(28-13-27-14)31-6-4-15(5-7-31)9-21-29-23-18(11-17(24)12-32(23)30-21)16-2-3-19(25)20(26)10-16/h2-3,8,10-13,15H,4-7,9H2,1H3
InChIKeyABROXJXMQUUDSS-UHFFFAOYSA-N
MW438.46 g/mol
LogP4.37
Rot. Bonds4

About 8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 58397989) has the molecular formula C23H21F3N6 and a molecular weight of 438.46 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID58397989
Molecular FormulaC23H21F3N6
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC Name8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(N2CCC(Cc3nc4c(-c5ccc(F)c(F)c5)cc(F)cn4n3)CC2)ncn1
InChIInChI=1S/C23H21F3N6/c1-14-8-22(28-13-27-14)31-6-4-15(5-7-31)9-21-29-23-18(11-17(24)12-32(23)30-21)16-2-3-19(25)20(26)10-16/h2-3,8,10-13,15H,4-7,9H2,1H3
InChIKeyABROXJXMQUUDSS-UHFFFAOYSA-N
XLogP4.37
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

2-[[8-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 161491075
2-[2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol
CID 58398041
[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123
2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole
CID 125423881
4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine
CID 166612775
8-(3,4-difluorophenyl)-6-fluoro-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58397974
4-(3,4-difluorophenyl)-2-[[(1S,5R)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a][1,3]diazepine
CID 159119398
6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863975
8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58397984
2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 67345668
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58398083

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 58397989) is 8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(N2CCC(Cc3nc4c(-c5ccc(F)c(F)c5)cc(F)cn4n3)CC2)ncn1.
What is the InChIKey of 8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ABROXJXMQUUDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6/c1-14-8-22(28-13-27-14)31-6-4-15(5-7-31)9-21-29-23-18(11-17(24)12-32(23)30-21)16-2-3-19(25)20(26)10-16/h2-3,8,10-13,15H,4-7,9H2,1H3.
What are the key properties of 8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 438.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 58397989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).