(2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

C18H14Cl2FN5O — CID 172817070

IUPAC(2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(nnn2Cc2ncccc2F)C1
InChIInChI=1S/C18H14Cl2FN5O/c19-12-4-1-3-11(17(12)20)18(27)25-8-6-16-15(9-25)23-24-26(16)10-14-13(21)5-2-7-22-14/h1-5,7H,6,8-10H2
InChIKeySYHUVGLBGWPOBD-UHFFFAOYSA-N
MW406.25 g/mol
LogP3.37
Rot. Bonds3

About (2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone

(2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 172817070) has the molecular formula C18H14Cl2FN5O and a molecular weight of 406.25 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID172817070
Molecular FormulaC18H14Cl2FN5O
Molecular Weight406.25 g/mol
Exact Mass405.06
IUPAC Name(2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2c(nnn2Cc2ncccc2F)C1
InChIInChI=1S/C18H14Cl2FN5O/c19-12-4-1-3-11(17(12)20)18(27)25-8-6-16-15(9-25)23-24-26(16)10-14-13(21)5-2-7-22-14/h1-5,7H,6,8-10H2
InChIKeySYHUVGLBGWPOBD-UHFFFAOYSA-N
XLogP3.37
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
CID 86270818
[1-[(3-ethyl-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 172835235
(2,3-dichlorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 86271661
(2,3-dichlorophenyl)-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 86270817
(2-fluoro-3-methylphenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
CID 90452380
[2-fluoro-3-(trifluoromethyl)phenyl]-(1-pyrazin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
CID 86271307
(2,3-dichlorophenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169418475
(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053366
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
(2,3-dichlorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19574158
1-[(2-bromophenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxylic acid
CID 138472077
(2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110867100

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone (CID 172817070) is (2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is O=C(c1cccc(Cl)c1Cl)N1CCc2c(nnn2Cc2ncccc2F)C1.
What is the InChIKey of (2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is SYHUVGLBGWPOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN5O/c19-12-4-1-3-11(17(12)20)18(27)25-8-6-16-15(9-25)23-24-26(16)10-14-13(21)5-2-7-22-14/h1-5,7H,6,8-10H2.
What are the key properties of (2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone?
(2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 406.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[1-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 172817070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).