[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine

C46H68BClN12O6S2 — CID 158415518

About [2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine

[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine (PubChem CID 158415518) has the molecular formula C46H68BClN12O6S2 and a molecular weight of 995.53 g/mol. Its IUPAC name is [2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: [2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
• PubChem CID: 158415518
• Molecular Formula: C46H68BClN12O6S2
• Molecular Weight: 995.53 g/mol
• Exact Mass: 994.46
• IUPAC Name: [2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
• SMILES: C.C.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(Cl)n1.Cc1nn2ccccc2c1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1.Cc1nn2ccccc2c1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C19H24N6O2S.C14H19BN2O2.C11H17ClN4O2S.2CH4/c1-13-12-27-10-9-24(13)17-11-16(23-28(3,4)26)20-19(21-17)18-14(2)22-25-8-6-5-7-15(18)25;1-10-12(11-8-6-7-9-17(11)16-10)15-18-13(2,3)14(4,5)19-15;1-8-7-18-5-4-16(8)10-6-9(13-11(12)14-10)15-19(2,3)17;;/h5-8,11,13H,9-10,12H2,1-4H3;6-9H,1-5H3;6,8H,4-5,7H2,1-3H3;2*1H4/t13-;;8-;;/m1.1../s1
• InChIKey: GZVPMFDEUZMZKP-OGOCZPLCSA-N
• XLogP: 7.61
• TPSA: 188.42 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	995.53
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?

The IUPAC name of [2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine (CID 158415518) is [2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine.

What is the SMILES notation for [2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?

The canonical SMILES for [2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine is C.C.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(Cl)n1.Cc1nn2ccccc2c1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1.Cc1nn2ccccc2c1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of [2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?

The InChIKey is GZVPMFDEUZMZKP-OGOCZPLCSA-N. The full InChI is InChI=1S/C19H24N6O2S.C14H19BN2O2.C11H17ClN4O2S.2CH4/c1-13-12-27-10-9-24(13)17-11-16(23-28(3,4)26)20-19(21-17)18-14(2)22-25-8-6-5-7-15(18)25;1-10-12(11-8-6-7-9-17(11)16-10)15-18-13(2,3)14(4,5)19-15;1-8-7-18-5-4-16(8)10-6-9(13-11(12)14-10)15-19(2,3)17;;/h5-8,11,13H,9-10,12H2,1-4H3;6-9H,1-5H3;6,8H,4-5,7H2,1-3H3;2*1H4/t13-;;8-;;/m1.1../s1.

What are the key properties of [2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?

[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 995.53 g/mol, XLogP of 7.61, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;methane;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 158415518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).