[1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone

C23H27FN4O — CID 92568488

IUPAC[1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC[C@H]1c1ncc2c(n1)CCNC2)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C23H27FN4O/c24-18-6-3-5-17(13-18)23(9-1-2-10-23)22(29)28-12-4-7-20(28)21-26-15-16-14-25-11-8-19(16)27-21/h3,5-6,13,15,20,25H,1-2,4,7-12,14H2/t20-/m0/s1
InChIKeyHCWHJOIBQINCRQ-FQEVSTJZSA-N
MW394.49 g/mol
LogP3.44
Rot. Bonds3

About [1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone

[1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 92568488) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is [1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID92568488
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name[1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC[C@H]1c1ncc2c(n1)CCNC2)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C23H27FN4O/c24-18-6-3-5-17(13-18)23(9-1-2-10-23)22(29)28-12-4-7-20(28)21-26-15-16-14-25-11-8-19(16)27-21/h3,5-6,13,15,20,25H,1-2,4,7-12,14H2/t20-/m0/s1
InChIKeyHCWHJOIBQINCRQ-FQEVSTJZSA-N
XLogP3.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone 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

5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92571763
2-(2-fluorophenyl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110240733
(2,6-dimethoxyphenyl)-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92600499
2-cyclopentyl-1-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 92567872
2,2-diphenyl-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110240727
3,4-dihydro-1H-isochromen-1-yl-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 110240779
(1,5-dimethylindol-2-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92560246
2-(benzimidazol-1-yl)-1-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 92576841
3-(4-methoxyphenyl)-1-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92595620
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92552434
3-(4-methoxyphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110240725
1-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 92596439

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone (CID 92568488) is [1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone is O=C(N1CCC[C@H]1c1ncc2c(n1)CCNC2)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of [1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HCWHJOIBQINCRQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27FN4O/c24-18-6-3-5-17(13-18)23(9-1-2-10-23)22(29)28-12-4-7-20(28)21-26-15-16-14-25-11-8-19(16)27-21/h3,5-6,13,15,20,25H,1-2,4,7-12,14H2/t20-/m0/s1.
What are the key properties of [1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone?
[1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 394.49 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)cyclopentyl]-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92568488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).