6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine

C18H20N6O — CID 91799413

IUPAC6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1nc([C@@H]2CCOC2)c2c(N3CCc4ncccc4C3)ncnn12
InChIInChI=1S/C18H20N6O/c1-12-22-16(14-5-8-25-10-14)17-18(20-11-21-24(12)17)23-7-4-15-13(9-23)3-2-6-19-15/h2-3,6,11,14H,4-5,7-10H2,1H3/t14-/m1/s1
InChIKeyHKXYKJZEBSIJSE-CQSZACIVSA-N
MW336.40 g/mol
LogP1.89
Rot. Bonds2

About 6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine

6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 91799413) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID91799413
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1nc([C@@H]2CCOC2)c2c(N3CCc4ncccc4C3)ncnn12
InChIInChI=1S/C18H20N6O/c1-12-22-16(14-5-8-25-10-14)17-18(20-11-21-24(12)17)23-7-4-15-13(9-23)3-2-6-19-15/h2-3,6,11,14H,4-5,7-10H2,1H3/t14-/m1/s1
InChIKeyHKXYKJZEBSIJSE-CQSZACIVSA-N
XLogP1.89
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine (CID 91799413) is 6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine is Cc1nc([C@@H]2CCOC2)c2c(N3CCc4ncccc4C3)ncnn12.
What is the InChIKey of 6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is HKXYKJZEBSIJSE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-22-16(14-5-8-25-10-14)17-18(20-11-21-24(12)17)23-7-4-15-13(9-23)3-2-6-19-15/h2-3,6,11,14H,4-5,7-10H2,1H3/t14-/m1/s1.
What are the key properties of 6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine?
6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 336.40 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 91799413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).