N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide

C27H27FN6O2 — CID 139327508

IUPACN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide
SMILESCCc1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(NC(=O)Cc2cc(F)cc(-c3cnn(C)c3)c2)n1
InChIInChI=1S/C27H27FN6O2/c1-3-22-12-23(34-7-6-27(16-29,26(34)36)20-4-5-20)13-24(31-22)32-25(35)10-17-8-18(11-21(28)9-17)19-14-30-33(2)15-19/h8-9,11-15,20H,3-7,10H2,1-2H3,(H,31,32,35)/t27-/m1/s1
InChIKeyDIOMYEUQYQREGA-HHHXNRCGSA-N
MW486.55 g/mol
LogP4.02
Rot. Bonds7

About N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide

N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide (PubChem CID 139327508) has the molecular formula C27H27FN6O2 and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide
PubChem CID139327508
Molecular FormulaC27H27FN6O2
Molecular Weight486.55 g/mol
Exact Mass486.22
IUPAC NameN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide
SMILESCCc1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(NC(=O)Cc2cc(F)cc(-c3cnn(C)c3)c2)n1
InChIInChI=1S/C27H27FN6O2/c1-3-22-12-23(34-7-6-27(16-29,26(34)36)20-4-5-20)13-24(31-22)32-25(35)10-17-8-18(11-21(28)9-17)19-14-30-33(2)15-19/h8-9,11-15,20H,3-7,10H2,1-2H3,(H,31,32,35)/t27-/m1/s1
InChIKeyDIOMYEUQYQREGA-HHHXNRCGSA-N
XLogP4.02
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide (CID 139327508) is N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide is CCc1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(NC(=O)Cc2cc(F)cc(-c3cnn(C)c3)c2)n1.
What is the InChIKey of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide?
The InChIKey is DIOMYEUQYQREGA-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H27FN6O2/c1-3-22-12-23(34-7-6-27(16-29,26(34)36)20-4-5-20)13-24(31-22)32-25(35)10-17-8-18(11-21(28)9-17)19-14-30-33(2)15-19/h8-9,11-15,20H,3-7,10H2,1-2H3,(H,31,32,35)/t27-/m1/s1.
What are the key properties of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide?
N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide has a molecular weight of 486.55 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-ethyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 139327508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).