6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one

C21H20N6O — CID 134603475

IUPAC6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one
SMILESCCn1cc(-c2cn[nH]n2)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C21H20N6O/c1-2-27-12-18(19-11-23-26-25-19)20(28)17-9-16(10-22-21(17)27)24-15-7-13-5-3-4-6-14(13)8-15/h3-6,9-12,15,24H,2,7-8H2,1H3,(H,23,25,26)
InChIKeyPNYVGAJBMLKUEV-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.78
Rot. Bonds4

About 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one

6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one (PubChem CID 134603475) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one
PubChem CID134603475
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one
SMILESCCn1cc(-c2cn[nH]n2)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C21H20N6O/c1-2-27-12-18(19-11-23-26-25-19)20(28)17-9-16(10-22-21(17)27)24-15-7-13-5-3-4-6-14(13)8-15/h3-6,9-12,15,24H,2,7-8H2,1H3,(H,23,25,26)
InChIKeyPNYVGAJBMLKUEV-UHFFFAOYSA-N
XLogP2.78
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one (CID 134603475) is 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one is CCn1cc(-c2cn[nH]n2)c(=O)c2cc(NC3Cc4ccccc4C3)cnc21.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one?
The InChIKey is PNYVGAJBMLKUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-2-27-12-18(19-11-23-26-25-19)20(28)17-9-16(10-22-21(17)27)24-15-7-13-5-3-4-6-14(13)8-15/h3-6,9-12,15,24H,2,7-8H2,1H3,(H,23,25,26).
What are the key properties of 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one?
6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one has a molecular weight of 372.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-2-ylamino)-1-ethyl-3-(2H-triazol-4-yl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 134603475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).