sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane

C23H26N5NaO — CID 168978795

IUPACsodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane
SMILESCc1c(O)c(-c2ccc3cc(N4CCCC4)cnc3n2)cc2cn(C)nc12.[CH2-]C.[Na+]
InChIInChI=1S/C21H21N5O.C2H5.Na/c1-13-19-15(12-25(2)24-19)10-17(20(13)27)18-6-5-14-9-16(11-22-21(14)23-18)26-7-3-4-8-26;1-2;/h5-6,9-12,27H,3-4,7-8H2,1-2H3;1H2,2H3;/q;-1;+1
InChIKeyCXZMZHFLFVUZGF-UHFFFAOYSA-N
MW411.49 g/mol
LogP1.64
Rot. Bonds2

About sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane

sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane (PubChem CID 168978795) has the molecular formula C23H26N5NaO and a molecular weight of 411.49 g/mol. Its IUPAC name is sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane.

Molecular Properties

Compound Namesodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane
PubChem CID168978795
Molecular FormulaC23H26N5NaO
Molecular Weight411.49 g/mol
Exact Mass411.20
IUPAC Namesodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane
SMILESCc1c(O)c(-c2ccc3cc(N4CCCC4)cnc3n2)cc2cn(C)nc12.[CH2-]C.[Na+]
InChIInChI=1S/C21H21N5O.C2H5.Na/c1-13-19-15(12-25(2)24-19)10-17(20(13)27)18-6-5-14-9-16(11-22-21(14)23-18)26-7-3-4-8-26;1-2;/h5-6,9-12,27H,3-4,7-8H2,1-2H3;1H2,2H3;/q;-1;+1
InChIKeyCXZMZHFLFVUZGF-UHFFFAOYSA-N
XLogP1.64
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol
CID 168978796
2,7-dimethyl-5-(4-methyl-6-piperazin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol
CID 168978289
5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
CID 168978828
5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 170012033
2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methyl-6-piperazin-1-yl-1,8-naphthyridine-4-carboxamide
CID 168978936
5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978379
5-[4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978839
2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol
CID 168978404
2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride
CID 168978903
5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978120
5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978713
2,7-dimethyl-5-[2-[(3S,4R)-3-methyl-4-(methylamino)pyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]indazol-6-ol
CID 168979060

Frequently Asked Questions

What is the IUPAC name of sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane?
The IUPAC name of sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane (CID 168978795) is sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane.
What is the SMILES notation for sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane?
The canonical SMILES for sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane is Cc1c(O)c(-c2ccc3cc(N4CCCC4)cnc3n2)cc2cn(C)nc12.[CH2-]C.[Na+].
What is the InChIKey of sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane?
The InChIKey is CXZMZHFLFVUZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O.C2H5.Na/c1-13-19-15(12-25(2)24-19)10-17(20(13)27)18-6-5-14-9-16(11-22-21(14)23-18)26-7-3-4-8-26;1-2;/h5-6,9-12,27H,3-4,7-8H2,1-2H3;1H2,2H3;/q;-1;+1.
What are the key properties of sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane?
sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane has a molecular weight of 411.49 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol;ethane is sourced from PubChem (CID 168978795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).