1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide

C21H25FN6O — CID 3227384

IUPAC1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide
SMILESCCc1c(C)nc2ncnn2c1N1CCCC(C(=O)Nc2cc(F)ccc2C)C1
InChIInChI=1S/C21H25FN6O/c1-4-17-14(3)25-21-23-12-24-28(21)20(17)27-9-5-6-15(11-27)19(29)26-18-10-16(22)8-7-13(18)2/h7-8,10,12,15H,4-6,9,11H2,1-3H3,(H,26,29)
InChIKeyLXUDUXGAKWUGIQ-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.30
Rot. Bonds4

About 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide

1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide (PubChem CID 3227384) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide
PubChem CID3227384
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC Name1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide
SMILESCCc1c(C)nc2ncnn2c1N1CCCC(C(=O)Nc2cc(F)ccc2C)C1
InChIInChI=1S/C21H25FN6O/c1-4-17-14(3)25-21-23-12-24-28(21)20(17)27-9-5-6-15(11-27)19(29)26-18-10-16(22)8-7-13(18)2/h7-8,10,12,15H,4-6,9,11H2,1-3H3,(H,26,29)
InChIKeyLXUDUXGAKWUGIQ-UHFFFAOYSA-N
XLogP3.30
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 7221296
(3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 7407416
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 7407403
1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid
CID 175654822
(3R)-N-(4-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51686885
(3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51686882
(3S)-N-(3-chloro-4-methylphenyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-3-carboxamide
CID 7407428
N-(2,5-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224260
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 3227361
1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 3227325
1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 646392
3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782434

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide (CID 3227384) is 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide is CCc1c(C)nc2ncnn2c1N1CCCC(C(=O)Nc2cc(F)ccc2C)C1.
What is the InChIKey of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide?
The InChIKey is LXUDUXGAKWUGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-4-17-14(3)25-21-23-12-24-28(21)20(17)27-9-5-6-15(11-27)19(29)26-18-10-16(22)8-7-13(18)2/h7-8,10,12,15H,4-6,9,11H2,1-3H3,(H,26,29).
What are the key properties of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide?
1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(5-fluoro-2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 3227384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).