[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C19H17FN8O — CID 71705753

IUPAC[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1-n1cnnn1)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C19H17FN8O/c20-14-4-5-16(28-12-21-24-25-28)15(11-14)19(29)26-9-6-13(7-10-26)18-23-22-17-3-1-2-8-27(17)18/h1-5,8,11-13H,6-7,9-10H2
InChIKeyJYVLARYCDCTBOB-UHFFFAOYSA-N
MW392.40 g/mol
LogP1.86
Rot. Bonds3

About [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 71705753) has the molecular formula C19H17FN8O and a molecular weight of 392.40 g/mol. Its IUPAC name is [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID71705753
Molecular FormulaC19H17FN8O
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Name[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(F)ccc1-n1cnnn1)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C19H17FN8O/c20-14-4-5-16(28-12-21-24-25-28)15(11-14)19(29)26-9-6-13(7-10-26)18-23-22-17-3-1-2-8-27(17)18/h1-5,8,11-13H,6-7,9-10H2
InChIKeyJYVLARYCDCTBOB-UHFFFAOYSA-N
XLogP1.86
TPSA94.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

US10399985, Example 31
CID 118278223
1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide
CID 168007913
Ripk1-IN-19
CID 168007916
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283192
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283574
US10774086, Example 30
CID 134551973
N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 165414967
N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]-7-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 134156672
2-[(3,4-Difluorophenyl)methyl]-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 155566604
[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl](2,3-dihydro-1H-indol-1-yl)methanone
CID 1094001
(8-Amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-yl-methanone
CID 20620151
3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N,4-dimethylbenzamide
CID 23400159

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 71705753) is [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1cc(F)ccc1-n1cnnn1)N1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is JYVLARYCDCTBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN8O/c20-14-4-5-16(28-12-21-24-25-28)15(11-14)19(29)26-9-6-13(7-10-26)18-23-22-17-3-1-2-8-27(17)18/h1-5,8,11-13H,6-7,9-10H2.
What are the key properties of [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 392.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71705753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).