2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione

C20H15N7O2 — CID 43865134

IUPAC2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESCc1nnc(C)n1-n1ccc2nc3ccn(-c4ccncc4)c(=O)c3cc2c1=O
InChIInChI=1S/C20H15N7O2/c1-12-23-24-13(2)27(12)26-10-6-18-16(20(26)29)11-15-17(22-18)5-9-25(19(15)28)14-3-7-21-8-4-14/h3-11H,1-2H3
InChIKeySFWRITDDKBZACN-UHFFFAOYSA-N
MW385.39 g/mol
LogP1.62
Rot. Bonds2

About 2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione

2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione (PubChem CID 43865134) has the molecular formula C20H15N7O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
PubChem CID43865134
Molecular FormulaC20H15N7O2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESCc1nnc(C)n1-n1ccc2nc3ccn(-c4ccncc4)c(=O)c3cc2c1=O
InChIInChI=1S/C20H15N7O2/c1-12-23-24-13(2)27(12)26-10-6-18-16(20(26)29)11-15-17(22-18)5-9-25(19(15)28)14-3-7-21-8-4-14/h3-11H,1-2H3
InChIKeySFWRITDDKBZACN-UHFFFAOYSA-N
XLogP1.62
TPSA100.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione (CID 43865134) is 2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione is Cc1nnc(C)n1-n1ccc2nc3ccn(-c4ccncc4)c(=O)c3cc2c1=O.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The InChIKey is SFWRITDDKBZACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O2/c1-12-23-24-13(2)27(12)26-10-6-18-16(20(26)29)11-15-17(22-18)5-9-25(19(15)28)14-3-7-21-8-4-14/h3-11H,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione has a molecular weight of 385.39 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-4-yl)-8-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione is sourced from PubChem (CID 43865134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).