methane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine

C25H33BN8O2 — CID 157194189

IUPACmethane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESC.C.CC1(C)OB(c2cnn3cccnc23)OC1(C)C.Nc1ccnc(-c2cnn3cccnc23)c1
InChIInChI=1S/C12H16BN3O2.C11H9N5.2CH4/c1-11(2)12(3,4)18-13(17-11)9-8-15-16-7-5-6-14-10(9)16;12-8-2-4-13-10(6-8)9-7-15-16-5-1-3-14-11(9)16;;/h5-8H,1-4H3;1-7H,(H2,12,13);2*1H4
InChIKeyAQAXGVMNJLSNLO-UHFFFAOYSA-N
MW488.41 g/mol
LogP3.67
Rot. Bonds2

About methane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine

methane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 157194189) has the molecular formula C25H33BN8O2 and a molecular weight of 488.41 g/mol. Its IUPAC name is methane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Namemethane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID157194189
Molecular FormulaC25H33BN8O2
Molecular Weight488.41 g/mol
Exact Mass488.28
IUPAC Namemethane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESC.C.CC1(C)OB(c2cnn3cccnc23)OC1(C)C.Nc1ccnc(-c2cnn3cccnc23)c1
InChIInChI=1S/C12H16BN3O2.C11H9N5.2CH4/c1-11(2)12(3,4)18-13(17-11)9-8-15-16-7-5-6-14-10(9)16;12-8-2-4-13-10(6-8)9-7-15-16-5-1-3-14-11(9)16;;/h5-8H,1-4H3;1-7H,(H2,12,13);2*1H4
InChIKeyAQAXGVMNJLSNLO-UHFFFAOYSA-N
XLogP3.67
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze methane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

US9670208, Example 115
CID 118216704
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224162
3-(1-methyl-1H-pyrazol-4-yl)-6-phenyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224163
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224368
3-(1-methyl-1H-pyrazol-4-yl)-N-phenyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24815996
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-N-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24824518
6-(1-methylpyrazol-4-yl)-3-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 24871821
1-isopropyl-3-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905170
3-(6-(Benzyl(ethyl)amino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159839
3-(6-(Pyridin-2-ylmethylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159959
3-(6-(Pyridin-3-ylmethylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159962
3-(6-(Ethyl(pyridin-4-ylmethyl)amino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44160079

Frequently Asked Questions

What is the IUPAC name of methane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of methane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine (CID 157194189) is methane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for methane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for methane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine is C.C.CC1(C)OB(c2cnn3cccnc23)OC1(C)C.Nc1ccnc(-c2cnn3cccnc23)c1.
What is the InChIKey of methane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is AQAXGVMNJLSNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BN3O2.C11H9N5.2CH4/c1-11(2)12(3,4)18-13(17-11)9-8-15-16-7-5-6-14-10(9)16;12-8-2-4-13-10(6-8)9-7-15-16-5-1-3-14-11(9)16;;/h5-8H,1-4H3;1-7H,(H2,12,13);2*1H4.
What are the key properties of methane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine?
methane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 488.41 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 157194189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).