5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine

C18H16N6 — CID 57392067

IUPAC5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine
SMILESc1cc(-c2ncn[nH]2)c2nc(N3CCCC3)c3ccncc3c2c1
InChIInChI=1S/C18H16N6/c1-2-9-24(8-1)18-13-6-7-19-10-15(13)12-4-3-5-14(16(12)22-18)17-20-11-21-23-17/h3-7,10-11H,1-2,8-9H2,(H,20,21,23)
InChIKeyGZPFCSWSXRQYKX-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.17
Rot. Bonds2

About 5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine

5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine (PubChem CID 57392067) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine.

Molecular Properties

Compound Name5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine
PubChem CID57392067
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine
SMILESc1cc(-c2ncn[nH]2)c2nc(N3CCCC3)c3ccncc3c2c1
InChIInChI=1S/C18H16N6/c1-2-9-24(8-1)18-13-6-7-19-10-15(13)12-4-3-5-14(16(12)22-18)17-20-11-21-23-17/h3-7,10-11H,1-2,8-9H2,(H,20,21,23)
InChIKeyGZPFCSWSXRQYKX-UHFFFAOYSA-N
XLogP3.17
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Forasartan
CID 132706
6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
PF-04254644
CID 24871823
Benzo[c]-2,6-naphthyridin-5-amine, N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)-
CID 44222958
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
Vlx-600
CID 6410104
Aminoquinazoline, 19
CID 24863072
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
CID 46174165
4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine
CID 134372959
(R)-2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11538251
(R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11581252

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine?
The IUPAC name of 5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine (CID 57392067) is 5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine.
What is the SMILES notation for 5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine?
The canonical SMILES for 5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine is c1cc(-c2ncn[nH]2)c2nc(N3CCCC3)c3ccncc3c2c1.
What is the InChIKey of 5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine?
The InChIKey is GZPFCSWSXRQYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-2-9-24(8-1)18-13-6-7-19-10-15(13)12-4-3-5-14(16(12)22-18)17-20-11-21-23-17/h3-7,10-11H,1-2,8-9H2,(H,20,21,23).
What are the key properties of 5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine?
5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine has a molecular weight of 316.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-yl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridine is sourced from PubChem (CID 57392067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).