2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one

C22H27FN4O2 — CID 110241789

IUPAC2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
SMILESCC(Oc1ccccc1F)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1
InChIInChI=1S/C22H27FN4O2/c1-15(29-20-6-4-3-5-18(20)23)22(28)27-12-9-19-17(14-27)13-24-21(25-19)16-7-10-26(2)11-8-16/h3-6,13,15-16H,7-12,14H2,1-2H3
InChIKeyCXPMOVBPKMCQAU-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.78
Rot. Bonds4

About 2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one

2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one (PubChem CID 110241789) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
PubChem CID110241789
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
SMILESCC(Oc1ccccc1F)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1
InChIInChI=1S/C22H27FN4O2/c1-15(29-20-6-4-3-5-18(20)23)22(28)27-12-9-19-17(14-27)13-24-21(25-19)16-7-10-26(2)11-8-16/h3-6,13,15-16H,7-12,14H2,1-2H3
InChIKeyCXPMOVBPKMCQAU-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-acetylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylpropan-1-one
CID 110241791
2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one
CID 110240574
(2S)-2-(3-fluorophenoxy)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92551346
(2R)-2-methyl-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 92562486
(2R)-2-(4-methylphenoxy)-1-[2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 95850712
(2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one
CID 95832528
(2-methoxy-3-methylphenyl)-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92561347
(3-methoxyphenyl)-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92608015
4-(2-fluorophenoxy)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 92573117
(2R)-2-(3,5-dimethylphenoxy)-1-[2-[(3R)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 95850692
[4-(dimethylamino)phenyl]-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92608012
3-(4-chlorophenyl)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92607994

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The IUPAC name of 2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one (CID 110241789) is 2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one is CC(Oc1ccccc1F)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The InChIKey is CXPMOVBPKMCQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-15(29-20-6-4-3-5-18(20)23)22(28)27-12-9-19-17(14-27)13-24-21(25-19)16-7-10-26(2)11-8-16/h3-6,13,15-16H,7-12,14H2,1-2H3.
What are the key properties of 2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one has a molecular weight of 398.48 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one is sourced from PubChem (CID 110241789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).