(2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide

C18H22FN5O2 — CID 129334149

IUPAC(2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide
SMILESCN1C(=O)C[C@@H](CN[C@@H](C(N)=O)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C18H22FN5O2/c1-23-10-13(9-22-23)17-12(7-15(25)24(17)2)8-21-16(18(20)26)11-3-5-14(19)6-4-11/h3-6,9-10,12,16-17,21H,7-8H2,1-2H3,(H2,20,26)/t12-,16+,17+/m0/s1
InChIKeyNGBHIAHKEAIGBT-JCURWCKSSA-N
MW359.41 g/mol
LogP0.89
Rot. Bonds6

About (2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide

(2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide (PubChem CID 129334149) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide
PubChem CID129334149
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name(2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide
SMILESCN1C(=O)C[C@@H](CN[C@@H](C(N)=O)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C18H22FN5O2/c1-23-10-13(9-22-23)17-12(7-15(25)24(17)2)8-21-16(18(20)26)11-3-5-14(19)6-4-11/h3-6,9-10,12,16-17,21H,7-8H2,1-2H3,(H2,20,26)/t12-,16+,17+/m0/s1
InChIKeyNGBHIAHKEAIGBT-JCURWCKSSA-N
XLogP0.89
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide (CID 129334149) is (2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide is CN1C(=O)C[C@@H](CN[C@@H](C(N)=O)c2ccc(F)cc2)[C@@H]1c1cnn(C)c1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide?
The InChIKey is NGBHIAHKEAIGBT-JCURWCKSSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-23-10-13(9-22-23)17-12(7-15(25)24(17)2)8-21-16(18(20)26)11-3-5-14(19)6-4-11/h3-6,9-10,12,16-17,21H,7-8H2,1-2H3,(H2,20,26)/t12-,16+,17+/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide?
(2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide has a molecular weight of 359.41 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]acetamide is sourced from PubChem (CID 129334149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).