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

C24H28N6O4 — CID 56651216

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5oc(C)nc5C)C4)c3C2)cc1C
InChIInChI=1S/C24H28N6O4/c1-14-9-17(10-25-22(14)32-4)29-8-6-20-19(12-29)23(27-13-26-20)34-18-5-7-30(11-18)24(31)21-15(2)28-16(3)33-21/h9-10,13,18H,5-8,11-12H2,1-4H3/t18-/m0/s1
InChIKeyQDKLHASKYBWPPO-SFHVURJKSA-N
MW464.53 g/mol
LogP2.65
Rot. Bonds5

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

(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone (PubChem CID 56651216) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone
PubChem CID56651216
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5oc(C)nc5C)C4)c3C2)cc1C
InChIInChI=1S/C24H28N6O4/c1-14-9-17(10-25-22(14)32-4)29-8-6-20-19(12-29)23(27-13-26-20)34-18-5-7-30(11-18)24(31)21-15(2)28-16(3)33-21/h9-10,13,18H,5-8,11-12H2,1-4H3/t18-/m0/s1
InChIKeyQDKLHASKYBWPPO-SFHVURJKSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone (CID 56651216) is (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone is COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5oc(C)nc5C)C4)c3C2)cc1C.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone?
The InChIKey is QDKLHASKYBWPPO-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-14-9-17(10-25-22(14)32-4)29-8-6-20-19(12-29)23(27-13-26-20)34-18-5-7-30(11-18)24(31)21-15(2)28-16(3)33-21/h9-10,13,18H,5-8,11-12H2,1-4H3/t18-/m0/s1.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone has a molecular weight of 464.53 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56651216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).