[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone

C16H14FN7O — CID 155919355

IUPAC[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
SMILESO=C(c1nc(-n2cnnc2)n[nH]1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H14FN7O/c17-13-3-1-11(2-4-13)12-5-7-23(8-6-12)15(25)14-20-16(22-21-14)24-9-18-19-10-24/h1-5,9-10H,6-8H2,(H,20,21,22)
InChIKeyDBKZHAWJJWMISC-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.45
Rot. Bonds3

About [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone

[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone (PubChem CID 155919355) has the molecular formula C16H14FN7O and a molecular weight of 339.33 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
PubChem CID155919355
Molecular FormulaC16H14FN7O
Molecular Weight339.33 g/mol
Exact Mass339.12
IUPAC Name[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
SMILESO=C(c1nc(-n2cnnc2)n[nH]1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H14FN7O/c17-13-3-1-11(2-4-13)12-5-7-23(8-6-12)15(25)14-20-16(22-21-14)24-9-18-19-10-24/h1-5,9-10H,6-8H2,(H,20,21,22)
InChIKeyDBKZHAWJJWMISC-UHFFFAOYSA-N
XLogP1.45
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone with MolForge

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Related Compounds

4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 86849606
[(3S)-3-methylpiperidin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
CID 7438061
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 112800819
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 25097680
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 86880058
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone
CID 86911397
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 86948059
2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120690598
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 87000792
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 20918077
(2S)-2-amino-3-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanoic acid
CID 141178412

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone (CID 155919355) is [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone is O=C(c1nc(-n2cnnc2)n[nH]1)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
The InChIKey is DBKZHAWJJWMISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN7O/c17-13-3-1-11(2-4-13)12-5-7-23(8-6-12)15(25)14-20-16(22-21-14)24-9-18-19-10-24/h1-5,9-10H,6-8H2,(H,20,21,22).
What are the key properties of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone?
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone has a molecular weight of 339.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone is sourced from PubChem (CID 155919355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).