8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C25H32N4O3 — CID 110260884

IUPAC8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccccc1CN1C(=O)CCc2c(C)nc(C3CCCN3C3CCOCC3)nc21
InChIInChI=1S/C25H32N4O3/c1-17-20-9-10-23(30)29(16-18-6-3-4-8-22(18)31-2)25(20)27-24(26-17)21-7-5-13-28(21)19-11-14-32-15-12-19/h3-4,6,8,19,21H,5,7,9-16H2,1-2H3
InChIKeyDXICCHKBMASKOM-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.59
Rot. Bonds5

About 8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110260884) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110260884
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccccc1CN1C(=O)CCc2c(C)nc(C3CCCN3C3CCOCC3)nc21
InChIInChI=1S/C25H32N4O3/c1-17-20-9-10-23(30)29(16-18-6-3-4-8-22(18)31-2)25(20)27-24(26-17)21-7-5-13-28(21)19-11-14-32-15-12-19/h3-4,6,8,19,21H,5,7,9-16H2,1-2H3
InChIKeyDXICCHKBMASKOM-UHFFFAOYSA-N
XLogP3.59
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630896
2-(1-acetylpiperidin-3-yl)-7-[(2-methoxyphenyl)methyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261789
N-[2-[(2S)-2-[7-[(2-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 92631432
2-[(2R)-1-cyclopentylpiperidin-2-yl]-8-(cyclopropylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629990
1-[(2R)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95833066
7-[(2-methoxyphenyl)methyl]-4-methyl-2-(1-propanoylpiperidin-3-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261816
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260627
7-[(2-methoxyphenyl)methyl]-4-methyl-2-[(3S)-1-propanoylpiperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631500
8-benzyl-4-methyl-2-[(2R)-1-(2-phenylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618762
1-[(2S)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95832990
2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260953
2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260924

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110260884) is 8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COc1ccccc1CN1C(=O)CCc2c(C)nc(C3CCCN3C3CCOCC3)nc21.
What is the InChIKey of 8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DXICCHKBMASKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17-20-9-10-23(30)29(16-18-6-3-4-8-22(18)31-2)25(20)27-24(26-17)21-7-5-13-28(21)19-11-14-32-15-12-19/h3-4,6,8,19,21H,5,7,9-16H2,1-2H3.
What are the key properties of 8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 436.56 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110260884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).