[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone

C24H28N6O4 — CID 163690347

IUPAC[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCCN(C(=O)c5conc5C)C4)c3C2)cc1C
InChIInChI=1S/C24H28N6O4/c1-15-9-17(10-25-22(15)32-3)29-8-6-21-19(12-29)23(27-14-26-21)34-18-5-4-7-30(11-18)24(31)20-13-33-28-16(20)2/h9-10,13-14,18H,4-8,11-12H2,1-3H3/t18-/m0/s1
InChIKeyJSLORZRMRPWKMZ-SFHVURJKSA-N
MW464.53 g/mol
LogP2.73
Rot. Bonds5

About [(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone

[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 163690347) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is [(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
PubChem CID163690347
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC Name[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCCN(C(=O)c5conc5C)C4)c3C2)cc1C
InChIInChI=1S/C24H28N6O4/c1-15-9-17(10-25-22(15)32-3)29-8-6-21-19(12-29)23(27-14-26-21)34-18-5-4-7-30(11-18)24(31)20-13-33-28-16(20)2/h9-10,13-14,18H,4-8,11-12H2,1-3H3/t18-/m0/s1
InChIKeyJSLORZRMRPWKMZ-SFHVURJKSA-N
XLogP2.73
TPSA106.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone (CID 163690347) is [(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone is COc1ncc(N2CCc3ncnc(O[C@H]4CCCN(C(=O)c5conc5C)C4)c3C2)cc1C.
What is the InChIKey of [(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is JSLORZRMRPWKMZ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-15-9-17(10-25-22(15)32-3)29-8-6-21-19(12-29)23(27-14-26-21)34-18-5-4-7-30(11-18)24(31)20-13-33-28-16(20)2/h9-10,13-14,18H,4-8,11-12H2,1-3H3/t18-/m0/s1.
What are the key properties of [(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone?
[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 464.53 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 163690347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).