9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile

C22H20FN5O2 — CID 166785625

IUPAC9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile
SMILESN#Cc1cc(C2=CCOCC2)c2n(/c1=N/Cc1c(F)ccc3c1CCO3)C=CNN2
InChIInChI=1S/C22H20FN5O2/c23-19-1-2-20-16(5-10-30-20)18(19)13-25-21-15(12-24)11-17(14-3-8-29-9-4-14)22-27-26-6-7-28(21)22/h1-3,6-7,11,26-27H,4-5,8-10,13H2/b25-21+
InChIKeyKCIIFIHTYKOCCF-NJNXFGOHSA-N
MW405.43 g/mol
LogP2.70
Rot. Bonds3

About 9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile

9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile (PubChem CID 166785625) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile.

Molecular Properties

Compound Name9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile
PubChem CID166785625
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile
SMILESN#Cc1cc(C2=CCOCC2)c2n(/c1=N/Cc1c(F)ccc3c1CCO3)C=CNN2
InChIInChI=1S/C22H20FN5O2/c23-19-1-2-20-16(5-10-30-20)18(19)13-25-21-15(12-24)11-17(14-3-8-29-9-4-14)22-27-26-6-7-28(21)22/h1-3,6-7,11,26-27H,4-5,8-10,13H2/b25-21+
InChIKeyKCIIFIHTYKOCCF-NJNXFGOHSA-N
XLogP2.70
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile?
The IUPAC name of 9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile (CID 166785625) is 9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile.
What is the SMILES notation for 9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile?
The canonical SMILES for 9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile is N#Cc1cc(C2=CCOCC2)c2n(/c1=N/Cc1c(F)ccc3c1CCO3)C=CNN2.
What is the InChIKey of 9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile?
The InChIKey is KCIIFIHTYKOCCF-NJNXFGOHSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-19-1-2-20-16(5-10-30-20)18(19)13-25-21-15(12-24)11-17(14-3-8-29-9-4-14)22-27-26-6-7-28(21)22/h1-3,6-7,11,26-27H,4-5,8-10,13H2/b25-21+.
What are the key properties of 9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile?
9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile has a molecular weight of 405.43 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,6-dihydro-2H-pyran-4-yl)-6-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylimino]-1,2-dihydropyrido[2,1-c][1,2,4]triazine-7-carbonitrile is sourced from PubChem (CID 166785625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).