7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one

C24H25N5O2 — CID 72544743

IUPAC7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(OCCCCN3CCc4nn(-c5ccccc5)cc4C3)nc2[nH]1
InChIInChI=1S/C24H25N5O2/c30-22-10-8-18-9-11-23(26-24(18)25-22)31-15-5-4-13-28-14-12-21-19(16-28)17-29(27-21)20-6-2-1-3-7-20/h1-3,6-11,17H,4-5,12-16H2,(H,25,26,30)
InChIKeyRVABPFMKMREYQI-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.33
Rot. Bonds7

About 7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one

7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one (PubChem CID 72544743) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one
PubChem CID72544743
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(OCCCCN3CCc4nn(-c5ccccc5)cc4C3)nc2[nH]1
InChIInChI=1S/C24H25N5O2/c30-22-10-8-18-9-11-23(26-24(18)25-22)31-15-5-4-13-28-14-12-21-19(16-28)17-29(27-21)20-6-2-1-3-7-20/h1-3,6-11,17H,4-5,12-16H2,(H,25,26,30)
InChIKeyRVABPFMKMREYQI-UHFFFAOYSA-N
XLogP3.33
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one (CID 72544743) is 7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one is O=c1ccc2ccc(OCCCCN3CCc4nn(-c5ccccc5)cc4C3)nc2[nH]1.
What is the InChIKey of 7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one?
The InChIKey is RVABPFMKMREYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-22-10-8-18-9-11-23(26-24(18)25-22)31-15-5-4-13-28-14-12-21-19(16-28)17-29(27-21)20-6-2-1-3-7-20/h1-3,6-11,17H,4-5,12-16H2,(H,25,26,30).
What are the key properties of 7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one?
7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one has a molecular weight of 415.50 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 72544743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).