2-cyclopropyl-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

C21H24N6O — CID 91799515

IUPAC2-cyclopropyl-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
SMILESCc1nc([C@@H]2CCOC2)c2c(N3CCc4nc(C5CC5)ccc4C3)ncnn12
InChIInChI=1S/C21H24N6O/c1-13-24-19(16-7-9-28-11-16)20-21(22-12-23-27(13)20)26-8-6-18-15(10-26)4-5-17(25-18)14-2-3-14/h4-5,12,14,16H,2-3,6-11H2,1H3/t16-/m1/s1
InChIKeyPVOYOTZJSORNQG-MRXNPFEDSA-N
MW376.46 g/mol
LogP2.77
Rot. Bonds3

About 2-cyclopropyl-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

2-cyclopropyl-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 91799515) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-cyclopropyl-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 Name2-cyclopropyl-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 CID91799515
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-cyclopropyl-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
SMILESCc1nc([C@@H]2CCOC2)c2c(N3CCc4nc(C5CC5)ccc4C3)ncnn12
InChIInChI=1S/C21H24N6O/c1-13-24-19(16-7-9-28-11-16)20-21(22-12-23-27(13)20)26-8-6-18-15(10-26)4-5-17(25-18)14-2-3-14/h4-5,12,14,16H,2-3,6-11H2,1H3/t16-/m1/s1
InChIKeyPVOYOTZJSORNQG-MRXNPFEDSA-N
XLogP2.77
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-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 2-cyclopropyl-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 2-cyclopropyl-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 91799515) is 2-cyclopropyl-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 2-cyclopropyl-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 2-cyclopropyl-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(N3CCc4nc(C5CC5)ccc4C3)ncnn12.
What is the InChIKey of 2-cyclopropyl-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 PVOYOTZJSORNQG-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N6O/c1-13-24-19(16-7-9-28-11-16)20-21(22-12-23-27(13)20)26-8-6-18-15(10-26)4-5-17(25-18)14-2-3-14/h4-5,12,14,16H,2-3,6-11H2,1H3/t16-/m1/s1.
What are the key properties of 2-cyclopropyl-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?
2-cyclopropyl-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 376.46 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-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 91799515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).