(5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide

C23H26FN5O4 — CID 173100248

IUPAC(5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC[C@@H](CN2CCCC2=O)N1CC(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C23H26FN5O4/c24-17-12-15(28-11-2-1-4-22(28)32)6-8-18(17)26-20(30)14-29-16(7-9-19(29)23(25)33)13-27-10-3-5-21(27)31/h1-2,4,6,8,11-12,16,19H,3,5,7,9-10,13-14H2,(H2,25,33)(H,26,30)/t16-,19?/m0/s1
InChIKeyIMGSUKOLPXJMIN-UCFFOFKASA-N
MW455.49 g/mol
LogP0.86
Rot. Bonds7

About (5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide

(5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 173100248) has the molecular formula C23H26FN5O4 and a molecular weight of 455.49 g/mol. Its IUPAC name is (5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID173100248
Molecular FormulaC23H26FN5O4
Molecular Weight455.49 g/mol
Exact Mass455.20
IUPAC Name(5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC[C@@H](CN2CCCC2=O)N1CC(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C23H26FN5O4/c24-17-12-15(28-11-2-1-4-22(28)32)6-8-18(17)26-20(30)14-29-16(7-9-19(29)23(25)33)13-27-10-3-5-21(27)31/h1-2,4,6,8,11-12,16,19H,3,5,7,9-10,13-14H2,(H2,25,33)(H,26,30)/t16-,19?/m0/s1
InChIKeyIMGSUKOLPXJMIN-UCFFOFKASA-N
XLogP0.86
TPSA117.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide (CID 173100248) is (5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide is NC(=O)C1CC[C@@H](CN2CCCC2=O)N1CC(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of (5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is IMGSUKOLPXJMIN-UCFFOFKASA-N. The full InChI is InChI=1S/C23H26FN5O4/c24-17-12-15(28-11-2-1-4-22(28)32)6-8-18(17)26-20(30)14-29-16(7-9-19(29)23(25)33)13-27-10-3-5-21(27)31/h1-2,4,6,8,11-12,16,19H,3,5,7,9-10,13-14H2,(H2,25,33)(H,26,30)/t16-,19?/m0/s1.
What are the key properties of (5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide?
(5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-5-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 173100248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).