[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

C18H23N5O4 — CID 56865658

IUPAC[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCOCc1c(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)noc1C
InChIInChI=1S/C18H23N5O4/c1-12-14(10-25-2)16(21-27-12)18(24)23-4-3-13-15(9-23)19-11-20-17(13)22-5-7-26-8-6-22/h11H,3-10H2,1-2H3
InChIKeyHSTLESIWAQOQQO-UHFFFAOYSA-N
MW373.41 g/mol
LogP0.95
Rot. Bonds4

About [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (PubChem CID 56865658) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
PubChem CID56865658
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCOCc1c(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)noc1C
InChIInChI=1S/C18H23N5O4/c1-12-14(10-25-2)16(21-27-12)18(24)23-4-3-13-15(9-23)19-11-20-17(13)22-5-7-26-8-6-22/h11H,3-10H2,1-2H3
InChIKeyHSTLESIWAQOQQO-UHFFFAOYSA-N
XLogP0.95
TPSA93.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone with MolForge

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Related Compounds

(5-methylisoxazol-3-yl)(2-morpholino-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)methanone
CID 86264655
[4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 59669966
4-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 53542834
7-[(5-Cyclopropylisoxazol-3-yl)carbonyl]-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56869972
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 56875106
4-Morpholin-4-yl-7-(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 70717992
7-[(3-Methylisoxazol-5-yl)acetyl]-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 70758392
7-[(3,5-Dimethylisoxazol-4-yl)carbonyl]-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 70770330
4-Morpholin-4-yl-7-[(5-propylisoxazol-3-yl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 70778371
(3,5-dimethylisoxazol-4-yl)(2-morpholino-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)methanone
CID 86264689
2-(3,5-dimethylisoxazol-4-yl)-1-(2-morpholino-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)ethanone
CID 92072223
1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 92623542

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The IUPAC name of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (CID 56865658) is [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is COCc1c(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)noc1C.
What is the InChIKey of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The InChIKey is HSTLESIWAQOQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-12-14(10-25-2)16(21-27-12)18(24)23-4-3-13-15(9-23)19-11-20-17(13)22-5-7-26-8-6-22/h11H,3-10H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone has a molecular weight of 373.41 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is sourced from PubChem (CID 56865658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).