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

C27H30N4O2 — CID 110260953

IUPAC2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccccc1-c1ccc(CN2CCCC2c2nc(C)c3c(n2)N(C)C(=O)CC3)cc1
InChIInChI=1S/C27H30N4O2/c1-18-21-14-15-25(32)30(2)27(21)29-26(28-18)23-8-6-16-31(23)17-19-10-12-20(13-11-19)22-7-4-5-9-24(22)33-3/h4-5,7,9-13,23H,6,8,14-17H2,1-3H3
InChIKeySLVGZMSTGWQWEB-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.71
Rot. Bonds5

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

2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110260953) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110260953
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccccc1-c1ccc(CN2CCCC2c2nc(C)c3c(n2)N(C)C(=O)CC3)cc1
InChIInChI=1S/C27H30N4O2/c1-18-21-14-15-25(32)30(2)27(21)29-26(28-18)23-8-6-16-31(23)17-19-10-12-20(13-11-19)22-7-4-5-9-24(22)33-3/h4-5,7,9-13,23H,6,8,14-17H2,1-3H3
InChIKeySLVGZMSTGWQWEB-UHFFFAOYSA-N
XLogP4.71
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(3-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268442
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260627
2-[(2S)-1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92639894
2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618628
2-[(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-[(4-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629853
4-methyl-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630439
4-methyl-2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630438
2-[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618661
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
2-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260803
8-benzyl-4-methyl-2-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629769
8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268456

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110260953) is 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COc1ccccc1-c1ccc(CN2CCCC2c2nc(C)c3c(n2)N(C)C(=O)CC3)cc1.
What is the InChIKey of 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SLVGZMSTGWQWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-18-21-14-15-25(32)30(2)27(21)29-26(28-18)23-8-6-16-31(23)17-19-10-12-20(13-11-19)22-7-4-5-9-24(22)33-3/h4-5,7,9-13,23H,6,8,14-17H2,1-3H3.
What are the key properties of 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 442.56 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110260953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).