sodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide

C40H49N11NaP4- — CID 158596033

IUPACsodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide
SMILESCC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21.CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21.C[N-]PP.[Na+].[PH-]P
InChIInChI=1S/C20H21N5.C19H19N5.CH6NP2.Na.H3P2/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14;1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14;1-2-4-3;;1-2/h4-10,12H,11H2,1-3H3,(H2,21,22,23);4-11H,1-3H3,(H2,20,21,22);4H,3H2,1H3;;1H,2H2/q;;-1;+1;-1
InChIKeyHVAOXEYQJNDIGK-UHFFFAOYSA-N
MW830.80 g/mol
LogP7.19
Rot. Bonds4

About sodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide

sodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide (PubChem CID 158596033) has the molecular formula C40H49N11NaP4- and a molecular weight of 830.80 g/mol. Its IUPAC name is sodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide.

Molecular Properties

Compound Namesodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide
PubChem CID158596033
Molecular FormulaC40H49N11NaP4-
Molecular Weight830.80 g/mol
Exact Mass830.30
IUPAC Namesodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide
SMILESCC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21.CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21.C[N-]PP.[Na+].[PH-]P
InChIInChI=1S/C20H21N5.C19H19N5.CH6NP2.Na.H3P2/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14;1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14;1-2-4-3;;1-2/h4-10,12H,11H2,1-3H3,(H2,21,22,23);4-11H,1-3H3,(H2,20,21,22);4H,3H2,1H3;;1H,2H2/q;;-1;+1;-1
InChIKeyHVAOXEYQJNDIGK-UHFFFAOYSA-N
XLogP7.19
TPSA153.34 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.80
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze sodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide with MolForge

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Related Compounds

1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 70686735
3-naphthalen-1-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 54586371
1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 24865390
1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864850
1-[4-[1-[4-amino-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]piperidin-1-yl]ethanone
CID 130446198
1-tert-butyl-3-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 167028014
3-naphthalen-1-yl-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162643501
5-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 171614492
1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866969
1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 121242363
1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633547
1-tert-butyl-3-naphthalen-1-yloxypyrazolo[3,4-b]pyridin-4-amine
CID 71010403

Frequently Asked Questions

What is the IUPAC name of sodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide?
The IUPAC name of sodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide (CID 158596033) is sodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide.
What is the SMILES notation for sodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide?
The canonical SMILES for sodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide is CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21.CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21.C[N-]PP.[Na+].[PH-]P.
What is the InChIKey of sodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide?
The InChIKey is HVAOXEYQJNDIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5.C19H19N5.CH6NP2.Na.H3P2/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14;1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14;1-2-4-3;;1-2/h4-10,12H,11H2,1-3H3,(H2,21,22,23);4-11H,1-3H3,(H2,20,21,22);4H,3H2,1H3;;1H,2H2/q;;-1;+1;-1.
What are the key properties of sodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide?
sodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide has a molecular weight of 830.80 g/mol, XLogP of 7.19, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;diphosphanyl(methyl)azanide;phosphanylphosphanide is sourced from PubChem (CID 158596033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).