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

C19H21FN4O — CID 125019326

IUPAC8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@H]2CCNC2)nc2c1CCC(=O)N2Cc1cccc(F)c1
InChIInChI=1S/C19H21FN4O/c1-12-16-5-6-17(25)24(11-13-3-2-4-15(20)9-13)19(16)23-18(22-12)14-7-8-21-10-14/h2-4,9,14,21H,5-8,10-11H2,1H3/t14-/m0/s1
InChIKeyXVEXXNMZSKHKQM-AWEZNQCLSA-N
MW340.40 g/mol
LogP2.48
Rot. Bonds3

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

8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 125019326) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID125019326
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@H]2CCNC2)nc2c1CCC(=O)N2Cc1cccc(F)c1
InChIInChI=1S/C19H21FN4O/c1-12-16-5-6-17(25)24(11-13-3-2-4-15(20)9-13)19(16)23-18(22-12)14-7-8-21-10-14/h2-4,9,14,21H,5-8,10-11H2,1H3/t14-/m0/s1
InChIKeyXVEXXNMZSKHKQM-AWEZNQCLSA-N
XLogP2.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-8-[2-(3-methylphenyl)ethyl]-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110085460
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
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]-2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629196
8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124979409
8-[(3-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268456
4-methyl-8-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95806228
8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-(2-propan-2-yloxyacetyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 125008528
4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124953697
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
7-[(3-methoxyphenyl)methyl]-4-methyl-2-piperidin-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride
CID 167995610
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

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 125019326) is 8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc([C@H]2CCNC2)nc2c1CCC(=O)N2Cc1cccc(F)c1.
What is the InChIKey of 8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XVEXXNMZSKHKQM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-12-16-5-6-17(25)24(11-13-3-2-4-15(20)9-13)19(16)23-18(22-12)14-7-8-21-10-14/h2-4,9,14,21H,5-8,10-11H2,1H3/t14-/m0/s1.
What are the key properties of 8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 340.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 125019326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).