6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one

C24H15ClN4O — CID 137439032

IUPAC6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one
SMILESCC#Cc1cc2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C24H15ClN4O/c1-2-6-15-9-17-11-19(16-10-18-13-26-29-22(18)20(25)12-16)21(14-7-4-3-5-8-14)27-23(17)28-24(15)30/h3-5,7-13H,1H3,(H,26,29)(H,27,28,30)
InChIKeyXWLVYHVQAHTQNS-UHFFFAOYSA-N
MW410.86 g/mol
LogP5.16
Rot. Bonds2

About 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one

6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one (PubChem CID 137439032) has the molecular formula C24H15ClN4O and a molecular weight of 410.86 g/mol. Its IUPAC name is 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one
PubChem CID137439032
Molecular FormulaC24H15ClN4O
Molecular Weight410.86 g/mol
Exact Mass410.09
IUPAC Name6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one
SMILESCC#Cc1cc2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C24H15ClN4O/c1-2-6-15-9-17-11-19(16-10-18-13-26-29-22(18)20(25)12-16)21(14-7-4-3-5-8-14)27-23(17)28-24(15)30/h3-5,7-13H,1H3,(H,26,29)(H,27,28,30)
InChIKeyXWLVYHVQAHTQNS-UHFFFAOYSA-N
XLogP5.16
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.86
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one (CID 137439032) is 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one is CC#Cc1cc2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]c1=O.
What is the InChIKey of 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one?
The InChIKey is XWLVYHVQAHTQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN4O/c1-2-6-15-9-17-11-19(16-10-18-13-26-29-22(18)20(25)12-16)21(14-7-4-3-5-8-14)27-23(17)28-24(15)30/h3-5,7-13H,1H3,(H,26,29)(H,27,28,30).
What are the key properties of 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one?
6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one has a molecular weight of 410.86 g/mol, XLogP of 5.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1H-indazol-5-yl)-7-phenyl-3-prop-1-ynyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137439032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).