8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C44H42N10O7 — CID 158676633

IUPAC8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(C)cc(C)c1CN1C(=O)CCc2c(C(=O)CCc3cc(C4=NC=CC4)no3)ncnc21.O=C1CCc2c(ncnc2C(=O)CCc2cc(C3=NC=CC3)no2)N1
InChIInChI=1S/C27H27N5O4.C17H15N5O3/c1-16-11-17(2)20(24(12-16)35-3)14-32-25(34)9-7-19-26(29-15-30-27(19)32)23(33)8-6-18-13-22(31-36-18)21-5-4-10-28-21;23-14(16-11-4-6-15(24)21-17(11)20-9-19-16)5-3-10-8-13(22-25-10)12-2-1-7-18-12/h4,10-13,15H,5-9,14H2,1-3H3;1,7-9H,2-6H2,(H,19,20,21,24)
InChIKeyIEPIXGFGYBFNJM-UHFFFAOYSA-N
MW822.88 g/mol
LogP5.96
Rot. Bonds13

About 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158676633) has the molecular formula C44H42N10O7 and a molecular weight of 822.88 g/mol. Its IUPAC name is 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID158676633
Molecular FormulaC44H42N10O7
Molecular Weight822.88 g/mol
Exact Mass822.32
IUPAC Name8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(C)cc(C)c1CN1C(=O)CCc2c(C(=O)CCc3cc(C4=NC=CC4)no3)ncnc21.O=C1CCc2c(ncnc2C(=O)CCc2cc(C3=NC=CC3)no2)N1
InChIInChI=1S/C27H27N5O4.C17H15N5O3/c1-16-11-17(2)20(24(12-16)35-3)14-32-25(34)9-7-19-26(29-15-30-27(19)32)23(33)8-6-18-13-22(31-36-18)21-5-4-10-28-21;23-14(16-11-4-6-15(24)21-17(11)20-9-19-16)5-3-10-8-13(22-25-10)12-2-1-7-18-12/h4,10-13,15H,5-9,14H2,1-3H3;1,7-9H,2-6H2,(H,19,20,21,24)
InChIKeyIEPIXGFGYBFNJM-UHFFFAOYSA-N
XLogP5.96
TPSA221.12 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500822.88
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

US12187727, Example 160
CID 166585274
8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 58182525
3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one
CID 58182558
4-[(3S)-3-[3-(5-methoxy-3H-indol-2-yl)-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182551
8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]pteridin-7-one
CID 58182559
8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 58182579
3-methoxy-N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]benzamide
CID 58182629
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 117636868
5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-N-[1-(oxan-4-yl)piperidin-4-yl]quinoline-8-carboxamide
CID 117636919
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 117636923
[5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-8-yl]-(4-methylpiperazin-1-yl)methanone
CID 117636939
5-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-N-(1-methylpiperidin-4-yl)quinoline-8-carboxamide
CID 117636972

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 158676633) is 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is COc1cc(C)cc(C)c1CN1C(=O)CCc2c(C(=O)CCc3cc(C4=NC=CC4)no3)ncnc21.O=C1CCc2c(ncnc2C(=O)CCc2cc(C3=NC=CC3)no2)N1.
What is the InChIKey of 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IEPIXGFGYBFNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4.C17H15N5O3/c1-16-11-17(2)20(24(12-16)35-3)14-32-25(34)9-7-19-26(29-15-30-27(19)32)23(33)8-6-18-13-22(31-36-18)21-5-4-10-28-21;23-14(16-11-4-6-15(24)21-17(11)20-9-19-16)5-3-10-8-13(22-25-10)12-2-1-7-18-12/h4,10-13,15H,5-9,14H2,1-3H3;1,7-9H,2-6H2,(H,19,20,21,24).
What are the key properties of 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 822.88 g/mol, XLogP of 5.96, 13 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158676633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).