4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide

C16H21F2N5O — CID 154737713

IUPAC4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide
SMILESCC(C)c1nnc2ccc(NC(=O)N3CCC(F)(F)C(C)C3)cn12
InChIInChI=1S/C16H21F2N5O/c1-10(2)14-21-20-13-5-4-12(9-23(13)14)19-15(24)22-7-6-16(17,18)11(3)8-22/h4-5,9-11H,6-8H2,1-3H3,(H,19,24)
InChIKeyARNNXSIUILPHHO-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.36
Rot. Bonds2

About 4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide

4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide (PubChem CID 154737713) has the molecular formula C16H21F2N5O and a molecular weight of 337.37 g/mol. Its IUPAC name is 4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide
PubChem CID154737713
Molecular FormulaC16H21F2N5O
Molecular Weight337.37 g/mol
Exact Mass337.17
IUPAC Name4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide
SMILESCC(C)c1nnc2ccc(NC(=O)N3CCC(F)(F)C(C)C3)cn12
InChIInChI=1S/C16H21F2N5O/c1-10(2)14-21-20-13-5-4-12(9-23(13)14)19-15(24)22-7-6-16(17,18)11(3)8-22/h4-5,9-11H,6-8H2,1-3H3,(H,19,24)
InChIKeyARNNXSIUILPHHO-UHFFFAOYSA-N
XLogP3.36
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide
CID 128757010
(3S,4S)-1-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122090971
5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide
CID 126786172
(3S)-4-(2,2-difluoroethyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)morpholine-3-carboxamide
CID 99827106
N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxane-3-carboxamide
CID 154741097
4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide
CID 128764131
N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide
CID 126779440
1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide
CID 126785198
3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
CID 126767399
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
CID 126767158
[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129487614
N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3789678

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide (CID 154737713) is 4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide is CC(C)c1nnc2ccc(NC(=O)N3CCC(F)(F)C(C)C3)cn12.
What is the InChIKey of 4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide?
The InChIKey is ARNNXSIUILPHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O/c1-10(2)14-21-20-13-5-4-12(9-23(13)14)19-15(24)22-7-6-16(17,18)11(3)8-22/h4-5,9-11H,6-8H2,1-3H3,(H,19,24).
What are the key properties of 4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide?
4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide has a molecular weight of 337.37 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methyl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154737713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).