[1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone

C26H26FN3O — CID 129453255

IUPAC[1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C26H26FN3O/c27-21-12-5-4-11-20(21)26(15-6-7-16-26)25(31)30-18-8-13-23(30)22-14-17-28-24(29-22)19-9-2-1-3-10-19/h1-5,9-12,14,17,23H,6-8,13,15-16,18H2/t23-/m1/s1
InChIKeyABEFWUNNSTXSES-HSZRJFAPSA-N
MW415.51 g/mol
LogP5.46
Rot. Bonds4

About [1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone

[1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 129453255) has the molecular formula C26H26FN3O and a molecular weight of 415.51 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID129453255
Molecular FormulaC26H26FN3O
Molecular Weight415.51 g/mol
Exact Mass415.21
IUPAC Name[1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C26H26FN3O/c27-21-12-5-4-11-20(21)26(15-6-7-16-26)25(31)30-18-8-13-23(30)22-14-17-28-24(29-22)19-9-2-1-3-10-19/h1-5,9-12,14,17,23H,6-8,13,15-16,18H2/t23-/m1/s1
InChIKeyABEFWUNNSTXSES-HSZRJFAPSA-N
XLogP5.46
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 125017066
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[2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 110253714
[4-(4-methoxyphenyl)oxan-4-yl]-[(2S)-2-[2-(4-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 129459217
[1-(2-fluorophenyl)cyclopentyl]-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92622950
(1-phenylcyclopropyl)-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052044
(3-chloro-4-fluorophenyl)-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95093509
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124991616
[1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 51492718
2-(4-fluorophenoxy)-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 53137582
2-(4-fluorophenoxy)-1-[(3S)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 95093540
3-methyl-1-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95093486

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone (CID 129453255) is [1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone is O=C(N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1)C1(c2ccccc2F)CCCC1.
What is the InChIKey of [1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ABEFWUNNSTXSES-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H26FN3O/c27-21-12-5-4-11-20(21)26(15-6-7-16-26)25(31)30-18-8-13-23(30)22-14-17-28-24(29-22)19-9-2-1-3-10-19/h1-5,9-12,14,17,23H,6-8,13,15-16,18H2/t23-/m1/s1.
What are the key properties of [1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone?
[1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 415.51 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)cyclopentyl]-[(2R)-2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129453255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).