6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile

C24H25N7O — CID 168979054

IUPAC6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile
SMILESCc1c(O)c(-c2cc(C#N)c3cc(N4CC(C)NC(C)C4)cnc3n2)cc2cn(C)nc12
InChIInChI=1S/C24H25N7O/c1-13-10-31(11-14(2)27-13)18-7-19-16(8-25)6-21(28-24(19)26-9-18)20-5-17-12-30(4)29-22(17)15(3)23(20)32/h5-7,9,12-14,27,32H,10-11H2,1-4H3
InChIKeyGVPSBMURUDLIMZ-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.26
Rot. Bonds2

About 6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile

6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile (PubChem CID 168979054) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile
PubChem CID168979054
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile
SMILESCc1c(O)c(-c2cc(C#N)c3cc(N4CC(C)NC(C)C4)cnc3n2)cc2cn(C)nc12
InChIInChI=1S/C24H25N7O/c1-13-10-31(11-14(2)27-13)18-7-19-16(8-25)6-21(28-24(19)26-9-18)20-5-17-12-30(4)29-22(17)15(3)23(20)32/h5-7,9,12-14,27,32H,10-11H2,1-4H3
InChIKeyGVPSBMURUDLIMZ-UHFFFAOYSA-N
XLogP3.26
TPSA102.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile?
The IUPAC name of 6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile (CID 168979054) is 6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile.
What is the SMILES notation for 6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile?
The canonical SMILES for 6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile is Cc1c(O)c(-c2cc(C#N)c3cc(N4CC(C)NC(C)C4)cnc3n2)cc2cn(C)nc12.
What is the InChIKey of 6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile?
The InChIKey is GVPSBMURUDLIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-13-10-31(11-14(2)27-13)18-7-19-16(8-25)6-21(28-24(19)26-9-18)20-5-17-12-30(4)29-22(17)15(3)23(20)32/h5-7,9,12-14,27,32H,10-11H2,1-4H3.
What are the key properties of 6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile?
6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile has a molecular weight of 427.51 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile is sourced from PubChem (CID 168979054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).