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

C35H50Cl2N8O4Si — CID 167626645

IUPAC6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane
SMILESCC1(O[Si](C)(C)C)CC1.CO.O=c1[nH]c(C2CCN(C3CC3)CC2)nc2cnc(Cl)cc12.O=c1[nH]c(C2CCNCC2)nc2cnc(Cl)cc12
InChIInChI=1S/C15H17ClN4O.C12H13ClN4O.C7H16OSi.CH4O/c16-13-7-11-12(8-17-13)18-14(19-15(11)21)9-3-5-20(6-4-9)10-1-2-10;13-10-5-8-9(6-15-10)16-11(17-12(8)18)7-1-3-14-4-2-7;1-7(5-6-7)8-9(2,3)4;1-2/h7-10H,1-6H2,(H,18,19,21);5-7,14H,1-4H2,(H,16,17,18);5-6H2,1-4H3;2H,1H3
InChIKeyNESJSMFTYQRYKN-UHFFFAOYSA-N
MW745.83 g/mol
LogP5.75
Rot. Bonds5

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

6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane (PubChem CID 167626645) has the molecular formula C35H50Cl2N8O4Si and a molecular weight of 745.83 g/mol. Its IUPAC name is 6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane.

Molecular Properties

Compound Name6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane
PubChem CID167626645
Molecular FormulaC35H50Cl2N8O4Si
Molecular Weight745.83 g/mol
Exact Mass744.31
IUPAC Name6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane
SMILESCC1(O[Si](C)(C)C)CC1.CO.O=c1[nH]c(C2CCN(C3CC3)CC2)nc2cnc(Cl)cc12.O=c1[nH]c(C2CCNCC2)nc2cnc(Cl)cc12
InChIInChI=1S/C15H17ClN4O.C12H13ClN4O.C7H16OSi.CH4O/c16-13-7-11-12(8-17-13)18-14(19-15(11)21)9-3-5-20(6-4-9)10-1-2-10;13-10-5-8-9(6-15-10)16-11(17-12(8)18)7-1-3-14-4-2-7;1-7(5-6-7)8-9(2,3)4;1-2/h7-10H,1-6H2,(H,18,19,21);5-7,14H,1-4H2,(H,16,17,18);5-6H2,1-4H3;2H,1H3
InChIKeyNESJSMFTYQRYKN-UHFFFAOYSA-N
XLogP5.75
TPSA162.01 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.83
LogP ≤ 55.75
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-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane?
The IUPAC name of 6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane (CID 167626645) is 6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane.
What is the SMILES notation for 6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane?
The canonical SMILES for 6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-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)nc2cnc(Cl)cc12.O=c1[nH]c(C2CCNCC2)nc2cnc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane?
The InChIKey is NESJSMFTYQRYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O.C12H13ClN4O.C7H16OSi.CH4O/c16-13-7-11-12(8-17-13)18-14(19-15(11)21)9-3-5-20(6-4-9)10-1-2-10;13-10-5-8-9(6-15-10)16-11(17-12(8)18)7-1-3-14-4-2-7;1-7(5-6-7)8-9(2,3)4;1-2/h7-10H,1-6H2,(H,18,19,21);5-7,14H,1-4H2,(H,16,17,18);5-6H2,1-4H3;2H,1H3.
What are the key properties of 6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane?
6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane has a molecular weight of 745.83 g/mol, XLogP of 5.75, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-cyclopropylpiperidin-4-yl)-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;methanol;trimethyl-(1-methylcyclopropyl)oxysilane is sourced from PubChem (CID 167626645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).