sodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol

C24H28N5NaO — CID 168977232

IUPACsodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol
SMILESC[C-](C)C.Cn1cc2cc(-c3ccc4nc(N5CCCC5)ccc4n3)c(O)cc2n1.[Na+]
InChIInChI=1S/C20H19N5O.C4H9.Na/c1-24-12-13-10-14(19(26)11-18(13)23-24)15-4-5-17-16(21-15)6-7-20(22-17)25-8-2-3-9-25;1-4(2)3;/h4-7,10-12,26H,2-3,8-9H2,1H3;1-3H3;/q;-1;+1
InChIKeyJYFAFNWDZXELLN-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.11
Rot. Bonds2

About sodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol

sodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol (PubChem CID 168977232) has the molecular formula C24H28N5NaO and a molecular weight of 425.51 g/mol. Its IUPAC name is sodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol.

Molecular Properties

Compound Namesodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol
PubChem CID168977232
Molecular FormulaC24H28N5NaO
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Namesodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol
SMILESC[C-](C)C.Cn1cc2cc(-c3ccc4nc(N5CCCC5)ccc4n3)c(O)cc2n1.[Na+]
InChIInChI=1S/C20H19N5O.C4H9.Na/c1-24-12-13-10-14(19(26)11-18(13)23-24)15-4-5-17-16(21-15)6-7-20(22-17)25-8-2-3-9-25;1-4(2)3;/h4-7,10-12,26H,2-3,8-9H2,1H3;1-3H3;/q;-1;+1
InChIKeyJYFAFNWDZXELLN-UHFFFAOYSA-N
XLogP2.11
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of sodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol?
The IUPAC name of sodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol (CID 168977232) is sodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol.
What is the SMILES notation for sodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol?
The canonical SMILES for sodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol is C[C-](C)C.Cn1cc2cc(-c3ccc4nc(N5CCCC5)ccc4n3)c(O)cc2n1.[Na+].
What is the InChIKey of sodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol?
The InChIKey is JYFAFNWDZXELLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O.C4H9.Na/c1-24-12-13-10-14(19(26)11-18(13)23-24)15-4-5-17-16(21-15)6-7-20(22-17)25-8-2-3-9-25;1-4(2)3;/h4-7,10-12,26H,2-3,8-9H2,1H3;1-3H3;/q;-1;+1.
What are the key properties of sodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol?
sodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol has a molecular weight of 425.51 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-methylpropane;2-methyl-5-(6-pyrrolidin-1-yl-1,5-naphthyridin-2-yl)indazol-6-ol is sourced from PubChem (CID 168977232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).