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

C27H29FN4O — CID 110268456

IUPAC8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCN2CCc2ccccc2)nc2c1CCC(=O)N2Cc1cccc(F)c1
InChIInChI=1S/C27H29FN4O/c1-19-23-12-13-25(33)32(18-21-9-5-10-22(28)17-21)27(23)30-26(29-19)24-11-6-15-31(24)16-14-20-7-3-2-4-8-20/h2-5,7-10,17,24H,6,11-16,18H2,1H3
InChIKeyVBCKUXCECNLOAP-UHFFFAOYSA-N
MW444.55 g/mol
LogP4.78
Rot. Bonds6

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

8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110268456) has the molecular formula C27H29FN4O and a molecular weight of 444.55 g/mol. Its IUPAC name is 8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110268456
Molecular FormulaC27H29FN4O
Molecular Weight444.55 g/mol
Exact Mass444.23
IUPAC Name8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCN2CCc2ccccc2)nc2c1CCC(=O)N2Cc1cccc(F)c1
InChIInChI=1S/C27H29FN4O/c1-19-23-12-13-25(33)32(18-21-9-5-10-22(28)17-21)27(23)30-26(29-19)24-11-6-15-31(24)16-14-20-7-3-2-4-8-20/h2-5,7-10,17,24H,6,11-16,18H2,1H3
InChIKeyVBCKUXCECNLOAP-UHFFFAOYSA-N
XLogP4.78
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124958766
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-[(3-fluorophenyl)methyl]-2-[(2S)-1-(2-methoxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630503
8-[(3-fluorophenyl)methyl]-4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630515
N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 92630575
8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 125019326
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
2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630896
2-[(2R)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630897

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110268456) is 8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCCN2CCc2ccccc2)nc2c1CCC(=O)N2Cc1cccc(F)c1.
What is the InChIKey of 8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VBCKUXCECNLOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O/c1-19-23-12-13-25(33)32(18-21-9-5-10-22(28)17-21)27(23)30-26(29-19)24-11-6-15-31(24)16-14-20-7-3-2-4-8-20/h2-5,7-10,17,24H,6,11-16,18H2,1H3.
What are the key properties of 8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 444.55 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110268456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).