2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

C21H26FN5O — CID 127251909

IUPAC2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCNc1nc(C2CCN(C(=O)Cc3ccc(F)cc3)C2)nc2c1CCN(C)C2
InChIInChI=1S/C21H26FN5O/c1-23-21-17-8-9-26(2)13-18(17)24-20(25-21)15-7-10-27(12-15)19(28)11-14-3-5-16(22)6-4-14/h3-6,15H,7-13H2,1-2H3,(H,23,24,25)
InChIKeyRIPTVZNQUFOGCF-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.20
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 127251909) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID127251909
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCNc1nc(C2CCN(C(=O)Cc3ccc(F)cc3)C2)nc2c1CCN(C)C2
InChIInChI=1S/C21H26FN5O/c1-23-21-17-8-9-26(2)13-18(17)24-20(25-21)15-7-10-27(12-15)19(28)11-14-3-5-16(22)6-4-14/h3-6,15H,7-13H2,1-2H3,(H,23,24,25)
InChIKeyRIPTVZNQUFOGCF-UHFFFAOYSA-N
XLogP2.20
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 127251923
3-(3-fluoro-N-methylanilino)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 110265794
2-(4-fluorophenyl)-1-[(2R)-2-[4-(methylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95836494
1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(4-fluorophenyl)propan-1-one
CID 92623088
2-(1-hydroxycyclohexyl)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124983267
1-[2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 110268715
2-(3-methoxyphenyl)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 92624926
2-[(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 124943338
1-[(2R)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 92623055
7-(cyclopropanecarbonyl)-2-[(3R)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681393
7-(cyclopropanecarbonyl)-2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136797039
(3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 110265764

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 127251909) is 2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is CNc1nc(C2CCN(C(=O)Cc3ccc(F)cc3)C2)nc2c1CCN(C)C2.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is RIPTVZNQUFOGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c1-23-21-17-8-9-26(2)13-18(17)24-20(25-21)15-7-10-27(12-15)19(28)11-14-3-5-16(22)6-4-14/h3-6,15H,7-13H2,1-2H3,(H,23,24,25).
What are the key properties of 2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 383.47 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 127251909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).