1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea

C14H16FN5O2 — CID 99633384

IUPAC1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCOc1ccc(F)c(NC(=O)N[C@H]2CCc3ncnn3C2)c1
InChIInChI=1S/C14H16FN5O2/c1-22-10-3-4-11(15)12(6-10)19-14(21)18-9-2-5-13-16-8-17-20(13)7-9/h3-4,6,8-9H,2,5,7H2,1H3,(H2,18,19,21)/t9-/m0/s1
InChIKeyZWSGTKAAPVGAQH-VIFPVBQESA-N
MW305.31 g/mol
LogP1.56
Rot. Bonds3

About 1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea

1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (PubChem CID 99633384) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
PubChem CID99633384
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCOc1ccc(F)c(NC(=O)N[C@H]2CCc3ncnn3C2)c1
InChIInChI=1S/C14H16FN5O2/c1-22-10-3-4-11(15)12(6-10)19-14(21)18-9-2-5-13-16-8-17-20(13)7-9/h3-4,6,8-9H,2,5,7H2,1H3,(H2,18,19,21)/t9-/m0/s1
InChIKeyZWSGTKAAPVGAQH-VIFPVBQESA-N
XLogP1.56
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(2,4,5-trifluorophenyl)urea
CID 99631930
1-(2-fluoro-6-methoxyphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 119034653
1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804730
1-[5-(6-methoxy-3-pyridinyl)-2-methylphenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 129482090
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804711
1-(2-propan-2-ylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86800724
1-(5-methyl-2-pyridinyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804769
1-[2-methyl-3-(propan-2-yloxymethyl)phenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99632749
1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 126788269
1-(3-phenyl-1,2-thiazol-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 126831651
1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 75512170
1-(2,2-difluoro-1-phenylethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 127265980

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The IUPAC name of 1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (CID 99633384) is 1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.
What is the SMILES notation for 1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The canonical SMILES for 1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is COc1ccc(F)c(NC(=O)N[C@H]2CCc3ncnn3C2)c1.
What is the InChIKey of 1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The InChIKey is ZWSGTKAAPVGAQH-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-22-10-3-4-11(15)12(6-10)19-14(21)18-9-2-5-13-16-8-17-20(13)7-9/h3-4,6,8-9H,2,5,7H2,1H3,(H2,18,19,21)/t9-/m0/s1.
What are the key properties of 1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea has a molecular weight of 305.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is sourced from PubChem (CID 99633384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).