(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone

C19H17BrF2N4O — CID 171680977

IUPAC(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(Br)c2nncn2c1)N1CCC(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H17BrF2N4O/c20-16-8-14(10-26-11-23-24-18(16)26)19(27)25-5-3-12(4-6-25)7-13-1-2-15(21)9-17(13)22/h1-2,8-12H,3-7H2
InChIKeyVZFJEYPBLQNWAR-UHFFFAOYSA-N
MW435.27 g/mol
LogP3.86
Rot. Bonds3

About (8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone

(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone (PubChem CID 171680977) has the molecular formula C19H17BrF2N4O and a molecular weight of 435.27 g/mol. Its IUPAC name is (8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone
PubChem CID171680977
Molecular FormulaC19H17BrF2N4O
Molecular Weight435.27 g/mol
Exact Mass434.06
IUPAC Name(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(Br)c2nncn2c1)N1CCC(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H17BrF2N4O/c20-16-8-14(10-26-11-23-24-18(16)26)19(27)25-5-3-12(4-6-25)7-13-1-2-15(21)9-17(13)22/h1-2,8-12H,3-7H2
InChIKeyVZFJEYPBLQNWAR-UHFFFAOYSA-N
XLogP3.86
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide
CID 68975518
5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120695987
tert-butyl 4-[(2,4-difluorophenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylate
CID 159612931
1-(4-bromopiperidin-1-yl)-2-(2,4-difluorophenyl)ethanone
CID 80662068
[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70786561
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395
(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119376292
(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102830
2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
CID 165123188
4-[(4-bromo-3-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 67000077
(3-bromo-4-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647709
(4-bromo-3-fluorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697956

Frequently Asked Questions

What is the IUPAC name of (8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone (CID 171680977) is (8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone is O=C(c1cc(Br)c2nncn2c1)N1CCC(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of (8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is VZFJEYPBLQNWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF2N4O/c20-16-8-14(10-26-11-23-24-18(16)26)19(27)25-5-3-12(4-6-25)7-13-1-2-15(21)9-17(13)22/h1-2,8-12H,3-7H2.
What are the key properties of (8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone?
(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 435.27 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 171680977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).