(3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone

C17H14BrFN4O — CID 46472400

IUPAC(3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(F)cc(Br)c1)N1CCCC1c1nnc2ccccn12
InChIInChI=1S/C17H14BrFN4O/c18-12-8-11(9-13(19)10-12)17(24)22-7-3-4-14(22)16-21-20-15-5-1-2-6-23(15)16/h1-2,5-6,8-10,14H,3-4,7H2
InChIKeyKEKDQDKSABCRQL-UHFFFAOYSA-N
MW389.23 g/mol
LogP3.61
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone

(3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 46472400) has the molecular formula C17H14BrFN4O and a molecular weight of 389.23 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID46472400
Molecular FormulaC17H14BrFN4O
Molecular Weight389.23 g/mol
Exact Mass388.03
IUPAC Name(3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(F)cc(Br)c1)N1CCCC1c1nnc2ccccn12
InChIInChI=1S/C17H14BrFN4O/c18-12-8-11(9-13(19)10-12)17(24)22-7-3-4-14(22)16-21-20-15-5-1-2-6-23(15)16/h1-2,5-6,8-10,14H,3-4,7H2
InChIKeyKEKDQDKSABCRQL-UHFFFAOYSA-N
XLogP3.61
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 46528446
[1-(4-bromobenzoyl)piperidin-4-yl]-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 24516485
(3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 26004078
(2,5-dimethylthiophen-3-yl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 51648513
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 37342266
(3-methoxy-4-propan-2-yloxyphenyl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 51925753
[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 42944454
2-cyclopent-2-en-1-yl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 45351531
1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 42924146
(2S)-1-(3-bromo-5-fluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 61137360
[4-[(3R)-3-methylpiperidin-1-yl]-3-nitrophenyl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 38717695
4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 34474325

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone (CID 46472400) is (3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone is O=C(c1cc(F)cc(Br)c1)N1CCCC1c1nnc2ccccn12.
What is the InChIKey of (3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KEKDQDKSABCRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN4O/c18-12-8-11(9-13(19)10-12)17(24)22-7-3-4-14(22)16-21-20-15-5-1-2-6-23(15)16/h1-2,5-6,8-10,14H,3-4,7H2.
What are the key properties of (3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
(3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 389.23 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 46472400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).