7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one

C24H28N6O — CID 171487990

IUPAC7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4cc5cnn(C)c5cc4C)CC3)cc2[nH]c1=O
InChIInChI=1S/C24H28N6O/c1-4-18-11-20-21(27-24(18)31)10-17(13-25-20)15-29-5-7-30(8-6-29)22-12-19-14-26-28(3)23(19)9-16(22)2/h9-14H,4-8,15H2,1-3H3,(H,27,31)
InChIKeyJXURQSJDQPRTRR-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.00
Rot. Bonds4

About 7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one

7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one (PubChem CID 171487990) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
PubChem CID171487990
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4cc5cnn(C)c5cc4C)CC3)cc2[nH]c1=O
InChIInChI=1S/C24H28N6O/c1-4-18-11-20-21(27-24(18)31)10-17(13-25-20)15-29-5-7-30(8-6-29)22-12-19-14-26-28(3)23(19)9-16(22)2/h9-14H,4-8,15H2,1-3H3,(H,27,31)
InChIKeyJXURQSJDQPRTRR-UHFFFAOYSA-N
XLogP3.00
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
The IUPAC name of 7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one (CID 171487990) is 7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(CN3CCN(c4cc5cnn(C)c5cc4C)CC3)cc2[nH]c1=O.
What is the InChIKey of 7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
The InChIKey is JXURQSJDQPRTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-4-18-11-20-21(27-24(18)31)10-17(13-25-20)15-29-5-7-30(8-6-29)22-12-19-14-26-28(3)23(19)9-16(22)2/h9-14H,4-8,15H2,1-3H3,(H,27,31).
What are the key properties of 7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one has a molecular weight of 416.53 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(1,6-dimethylindazol-5-yl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 171487990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).