5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole

C23H25N5O2 — CID 24916094

IUPAC5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole
SMILESCOc1ccc(-c2cc(CN3CCc4nc(C5=NCCCC5)ncc4C3)no2)cc1
InChIInChI=1S/C23H25N5O2/c1-29-19-7-5-16(6-8-19)22-12-18(27-30-22)15-28-11-9-20-17(14-28)13-25-23(26-20)21-4-2-3-10-24-21/h5-8,12-13H,2-4,9-11,14-15H2,1H3
InChIKeyKJWHHZGMWZOQQT-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.67
Rot. Bonds5

About 5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole

5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole (PubChem CID 24916094) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole
PubChem CID24916094
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole
SMILESCOc1ccc(-c2cc(CN3CCc4nc(C5=NCCCC5)ncc4C3)no2)cc1
InChIInChI=1S/C23H25N5O2/c1-29-19-7-5-16(6-8-19)22-12-18(27-30-22)15-28-11-9-20-17(14-28)13-25-23(26-20)21-4-2-3-10-24-21/h5-8,12-13H,2-4,9-11,14-15H2,1H3
InChIKeyKJWHHZGMWZOQQT-UHFFFAOYSA-N
XLogP3.67
TPSA76.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole with MolForge

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Related Compounds

3-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-(4-methoxyphenyl)-1,2-oxazole
CID 24916091
6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915716
3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole
CID 24916149
5-methyl-3-phenyl-4-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole
CID 24912545
6-[[6-(4-chlorophenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915443
6-[(5-iodofuran-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910130
4-[6-[(5-methyl-1,2-oxazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24916062
6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916703
5-(4-methylphenyl)-3-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24915218
6-[(2,6-difluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928928
5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole
CID 24912125
6-[[6-(5-chloro-2-methoxyphenyl)-3-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914351

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole (CID 24916094) is 5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole is COc1ccc(-c2cc(CN3CCc4nc(C5=NCCCC5)ncc4C3)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole?
The InChIKey is KJWHHZGMWZOQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-29-19-7-5-16(6-8-19)22-12-18(27-30-22)15-28-11-9-20-17(14-28)13-25-23(26-20)21-4-2-3-10-24-21/h5-8,12-13H,2-4,9-11,14-15H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole?
5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole has a molecular weight of 403.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 24916094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).