[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone

C20H15FN6O — CID 3432212

IUPAC[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C20H15FN6O/c21-17-5-3-14(4-6-17)12-24-20-25-18(16-2-1-9-23-13-16)26-27(20)19(28)15-7-10-22-11-8-15/h1-11,13H,12H2,(H,24,25,26)
InChIKeyQYSDWJHVLHXHPN-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.17
Rot. Bonds5

About [5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone

[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone (PubChem CID 3432212) has the molecular formula C20H15FN6O and a molecular weight of 374.38 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone
PubChem CID3432212
Molecular FormulaC20H15FN6O
Molecular Weight374.38 g/mol
Exact Mass374.13
IUPAC Name[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C20H15FN6O/c21-17-5-3-14(4-6-17)12-24-20-25-18(16-2-1-9-23-13-16)26-27(20)19(28)15-7-10-22-11-8-15/h1-11,13H,12H2,(H,24,25,26)
InChIKeyQYSDWJHVLHXHPN-UHFFFAOYSA-N
XLogP3.17
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone
CID 3922831
(2-chlorophenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
CID 2979853
1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]but-3-en-1-one
CID 163484530
5-[(4-fluorophenyl)methylamino]-N-phenyl-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide
CID 142770533
(4-fluorophenyl)-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
CID 4617702
1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-(imino-λ3-iodanyl)ethanone
CID 144712616
(4-fluorophenyl)-[5-[(2-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
CID 7337612
[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone
CID 3896976
[5-[(4-fluorophenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone
CID 135334203
(2-chlorophenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-4-yl-1,2,4-triazol-1-yl]methanone
CID 142770542
2-(4-chlorophenoxy)-1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone
CID 3504038
2-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-1-phenylethanone
CID 53492673

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone (CID 3432212) is [5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1.
What is the InChIKey of [5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone?
The InChIKey is QYSDWJHVLHXHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O/c21-17-5-3-14(4-6-17)12-24-20-25-18(16-2-1-9-23-13-16)26-27(20)19(28)15-7-10-22-11-8-15/h1-11,13H,12H2,(H,24,25,26).
What are the key properties of [5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone?
[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone has a molecular weight of 374.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 3432212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).