[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

C19H25N5O3 — CID 56875106

IUPAC[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
SMILESCOCc1c(C(=O)N2CCc3c(nc(C)nc3N3CCCC3)C2)noc1C
InChIInChI=1S/C19H25N5O3/c1-12-15(11-26-3)17(22-27-12)19(25)24-9-6-14-16(10-24)20-13(2)21-18(14)23-7-4-5-8-23/h4-11H2,1-3H3
InChIKeyRQUSYCCOBLQQGQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.03
Rot. Bonds4

About [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

[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 (PubChem CID 56875106) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID56875106
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name[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
SMILESCOCc1c(C(=O)N2CCc3c(nc(C)nc3N3CCCC3)C2)noc1C
InChIInChI=1S/C19H25N5O3/c1-12-15(11-26-3)17(22-27-12)19(25)24-9-6-14-16(10-24)20-13(2)21-18(14)23-7-4-5-8-23/h4-11H2,1-3H3
InChIKeyRQUSYCCOBLQQGQ-UHFFFAOYSA-N
XLogP2.03
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-Dimethyl-3-[2-(1-{5-methyl-4-[(piperidin-1-YL)methyl]-1,2-oxazole-3-carbonyl}piperidin-4-YL)ethyl]-1,2,4-oxadiazol-5-amine
CID 132340510
[3-Fluoro-3-(3-tetrahydro-2H-pyran-4-YL-1,2,4-oxadiazol-5-YL)-1-pyrrolidinyl][4-(methoxymethyl)-5-methyl-3-isoxazolyl]methanone
CID 137893094
7-{[4-(Methoxymethyl)-5-methylisoxazol-3-yl]carbonyl}-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56865658
[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 89752484
2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 38711701
2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 53613040
4-({5-[4-(Methoxymethyl)-5-methylisoxazol-3-yl]-1,2,4-oxadiazol-3-yl}methyl)-1-methylpiperidine
CID 56719548
2-isobutyl-6-{[4-(methoxymethyl)-5-methylisoxazol-3-yl]carbonyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56758928
2-tert-butyl-6-{[4-(methoxymethyl)-5-methylisoxazol-3-yl]carbonyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56759146
7-acetyl-N~4~-[(3,5-dimethylisoxazol-4-yl)methyl]-N~2~,N~2~-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56876015
2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 71969228
N,N-dimethyl-5-(2,5,6-trimethylpyrimidin-4-yl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide
CID 72914801

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COCc1c(C(=O)N2CCc3c(nc(C)nc3N3CCCC3)C2)noc1C.
What is the InChIKey of [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?
The InChIKey is RQUSYCCOBLQQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-12-15(11-26-3)17(22-27-12)19(25)24-9-6-14-16(10-24)20-13(2)21-18(14)23-7-4-5-8-23/h4-11H2,1-3H3.
What are the key properties of [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?
[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 has a molecular weight of 371.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 56875106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).