N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide

C21H23FN4O3 — CID 154845321

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1ncc2c(n1)CCC2)C1CC(O)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C21H23FN4O3/c22-16-6-2-1-4-13(16)8-20(28)26-12-15(27)9-18(26)21(29)24-11-19-23-10-14-5-3-7-17(14)25-19/h1-2,4,6,10,15,18,27H,3,5,7-9,11-12H2,(H,24,29)
InChIKeyKILPXQOZMLCYJO-UHFFFAOYSA-N
MW398.44 g/mol
LogP0.93
Rot. Bonds5

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 154845321) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID154845321
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1ncc2c(n1)CCC2)C1CC(O)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C21H23FN4O3/c22-16-6-2-1-4-13(16)8-20(28)26-12-15(27)9-18(26)21(29)24-11-19-23-10-14-5-3-7-17(14)25-19/h1-2,4,6,10,15,18,27H,3,5,7-9,11-12H2,(H,24,29)
InChIKeyKILPXQOZMLCYJO-UHFFFAOYSA-N
XLogP0.93
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 154849911
1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 154849915
1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 154849931
N-[[3-(3,4-dimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
CID 154849949
N-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
CID 154849933
(2S)-1-[(2-fluorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61189505
(2S,4R)-1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-4-hydroxy-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 155881009
(2R,4R)-2-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7450544
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
CID 154849963
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 66052196
4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 123902073
(4-methoxycarbonylphenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
CID 55728411

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide (CID 154845321) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NCc1ncc2c(n1)CCC2)C1CC(O)CN1C(=O)Cc1ccccc1F.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is KILPXQOZMLCYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c22-16-6-2-1-4-13(16)8-20(28)26-12-15(27)9-18(26)21(29)24-11-19-23-10-14-5-3-7-17(14)25-19/h1-2,4,6,10,15,18,27H,3,5,7-9,11-12H2,(H,24,29).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 154845321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).