N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide

C25H23FN6O2 — CID 153320668

IUPACN-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide
SMILESCC(=O)Nc1cc(-n2ccnc2)cc(F)c1-c1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(C)n1
InChIInChI=1S/C25H23FN6O2/c1-15-9-19(32-7-5-25(13-27,24(32)34)17-3-4-17)12-21(29-15)23-20(26)10-18(31-8-6-28-14-31)11-22(23)30-16(2)33/h6,8-12,14,17H,3-5,7H2,1-2H3,(H,30,33)/t25-/m1/s1
InChIKeyCJSGADWBAQNKMP-RUZDIDTESA-N
MW458.50 g/mol
LogP4.00
Rot. Bonds5

About N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide

N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide (PubChem CID 153320668) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide
PubChem CID153320668
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC NameN-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide
SMILESCC(=O)Nc1cc(-n2ccnc2)cc(F)c1-c1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(C)n1
InChIInChI=1S/C25H23FN6O2/c1-15-9-19(32-7-5-25(13-27,24(32)34)17-3-4-17)12-21(29-15)23-20(26)10-18(31-8-6-28-14-31)11-22(23)30-16(2)33/h6,8-12,14,17H,3-5,7H2,1-2H3,(H,30,33)/t25-/m1/s1
InChIKeyCJSGADWBAQNKMP-RUZDIDTESA-N
XLogP4.00
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide?
The IUPAC name of N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide (CID 153320668) is N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide.
What is the SMILES notation for N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide?
The canonical SMILES for N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide is CC(=O)Nc1cc(-n2ccnc2)cc(F)c1-c1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(C)n1.
What is the InChIKey of N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide?
The InChIKey is CJSGADWBAQNKMP-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-15-9-19(32-7-5-25(13-27,24(32)34)17-3-4-17)12-21(29-15)23-20(26)10-18(31-8-6-28-14-31)11-22(23)30-16(2)33/h6,8-12,14,17H,3-5,7H2,1-2H3,(H,30,33)/t25-/m1/s1.
What are the key properties of N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide?
N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide has a molecular weight of 458.50 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-3-fluoro-5-imidazol-1-ylphenyl]acetamide is sourced from PubChem (CID 153320668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).