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

C21H25FN4O — CID 110241397

IUPAC3-(2-fluorophenyl)-1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCc2nc(C3CCCNC3)ncc2C1
InChIInChI=1S/C21H25FN4O/c22-18-6-2-1-4-15(18)7-8-20(27)26-11-9-19-17(14-26)13-24-21(25-19)16-5-3-10-23-12-16/h1-2,4,6,13,16,23H,3,5,7-12,14H2
InChIKeySEQODMQFOVDNAB-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.60
Rot. Bonds4

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

3-(2-fluorophenyl)-1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one (PubChem CID 110241397) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one
PubChem CID110241397
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name3-(2-fluorophenyl)-1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCc2nc(C3CCCNC3)ncc2C1
InChIInChI=1S/C21H25FN4O/c22-18-6-2-1-4-15(18)7-8-20(27)26-11-9-19-17(14-26)13-24-21(25-19)16-5-3-10-23-12-16/h1-2,4,6,13,16,23H,3,5,7-12,14H2
InChIKeySEQODMQFOVDNAB-UHFFFAOYSA-N
XLogP2.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92572516
1-[3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110241586
3-(2-methoxyphenyl)-1-[2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92601648
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
2-phenoxy-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92575358
2-phenoxy-1-[2-[(3S)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92575359
2-(4-fluorophenyl)-1-(2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 110241630
2-(2,5-dimethoxyphenyl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92594562
2-(4-methylpiperidin-1-yl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92584217
2-(3,4-dimethoxyphenyl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92597870
2-phenoxy-1-(2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 110243598
2-[(2S)-2-methylpiperidin-1-yl]-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92583946

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one (CID 110241397) is 3-(2-fluorophenyl)-1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one is O=C(CCc1ccccc1F)N1CCc2nc(C3CCCNC3)ncc2C1.
What is the InChIKey of 3-(2-fluorophenyl)-1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one?
The InChIKey is SEQODMQFOVDNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c22-18-6-2-1-4-15(18)7-8-20(27)26-11-9-19-17(14-26)13-24-21(25-19)16-5-3-10-23-12-16/h1-2,4,6,13,16,23H,3,5,7-12,14H2.
What are the key properties of 3-(2-fluorophenyl)-1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one?
3-(2-fluorophenyl)-1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one has a molecular weight of 368.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one is sourced from PubChem (CID 110241397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).