6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane

C35H50Br2N8O4Si — CID 167610956

IUPAC6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane
SMILESCC1(O[Si](C)(C)C)CC1.CO.O=c1[nH]c(C2CCN(C3CC3)CC2)nc2ccc(Br)nc12.O=c1[nH]c(C2CCNCC2)nc2ccc(Br)nc12
InChIInChI=1S/C15H17BrN4O.C12H13BrN4O.C7H16OSi.CH4O/c16-12-4-3-11-13(18-12)15(21)19-14(17-11)9-5-7-20(8-6-9)10-1-2-10;13-9-2-1-8-10(16-9)12(18)17-11(15-8)7-3-5-14-6-4-7;1-7(5-6-7)8-9(2,3)4;1-2/h3-4,9-10H,1-2,5-8H2,(H,17,19,21);1-2,7,14H,3-6H2,(H,15,17,18);5-6H2,1-4H3;2H,1H3
InChIKeyLASLQEGFDBTTTG-UHFFFAOYSA-N
MW834.73 g/mol
LogP5.97
Rot. Bonds5

About 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane

6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane (PubChem CID 167610956) has the molecular formula C35H50Br2N8O4Si and a molecular weight of 834.73 g/mol. Its IUPAC name is 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane.

Molecular Properties

Compound Name6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane
PubChem CID167610956
Molecular FormulaC35H50Br2N8O4Si
Molecular Weight834.73 g/mol
Exact Mass832.21
IUPAC Name6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane
SMILESCC1(O[Si](C)(C)C)CC1.CO.O=c1[nH]c(C2CCN(C3CC3)CC2)nc2ccc(Br)nc12.O=c1[nH]c(C2CCNCC2)nc2ccc(Br)nc12
InChIInChI=1S/C15H17BrN4O.C12H13BrN4O.C7H16OSi.CH4O/c16-12-4-3-11-13(18-12)15(21)19-14(17-11)9-5-7-20(8-6-9)10-1-2-10;13-9-2-1-8-10(16-9)12(18)17-11(15-8)7-3-5-14-6-4-7;1-7(5-6-7)8-9(2,3)4;1-2/h3-4,9-10H,1-2,5-8H2,(H,17,19,21);1-2,7,14H,3-6H2,(H,15,17,18);5-6H2,1-4H3;2H,1H3
InChIKeyLASLQEGFDBTTTG-UHFFFAOYSA-N
XLogP5.97
TPSA162.01 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.73
LogP ≤ 55.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane with MolForge

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Related Compounds

2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 153382174
6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one
CID 135853225
2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole
CID 18365254
6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole
CID 82184491
6-methylsulfonyl-2-piperidin-4-yl-1H-benzimidazole
CID 62069300
2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole
CID 95473984
5-bromo-3,3-dimethyl-1-piperidin-4-ylpyrrolo[3,2-b]pyridin-2-one
CID 171524947
6-bromo-2-[(1S)-3,3-dimethylcyclopentyl]-3H-quinazolin-4-one
CID 137100940
2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one
CID 137298702
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
6-bromo-2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-3H-quinazolin-4-one;2-(1-cyclopropylpiperidin-4-yl)-8-fluoro-6-(3-fluoro-4-methylphenyl)-3H-quinazolin-4-one;(3-fluoro-4-methylphenyl)boronic acid;methane
CID 167636175

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane?
The IUPAC name of 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane (CID 167610956) is 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane.
What is the SMILES notation for 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane?
The canonical SMILES for 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane is CC1(O[Si](C)(C)C)CC1.CO.O=c1[nH]c(C2CCN(C3CC3)CC2)nc2ccc(Br)nc12.O=c1[nH]c(C2CCNCC2)nc2ccc(Br)nc12.
What is the InChIKey of 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane?
The InChIKey is LASLQEGFDBTTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O.C12H13BrN4O.C7H16OSi.CH4O/c16-12-4-3-11-13(18-12)15(21)19-14(17-11)9-5-7-20(8-6-9)10-1-2-10;13-9-2-1-8-10(16-9)12(18)17-11(15-8)7-3-5-14-6-4-7;1-7(5-6-7)8-9(2,3)4;1-2/h3-4,9-10H,1-2,5-8H2,(H,17,19,21);1-2,7,14H,3-6H2,(H,15,17,18);5-6H2,1-4H3;2H,1H3.
What are the key properties of 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane?
6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane has a molecular weight of 834.73 g/mol, XLogP of 5.97, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,2-d]pyrimidin-4-one;6-bromo-2-piperidin-4-yl-3H-pyrido[3,2-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane is sourced from PubChem (CID 167610956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).