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

C26H25FN6O3 — CID 153320637

IUPACN-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-(hydroxymethyl)-2-pyridinyl]-3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnn(C)c2)cc(F)c1-c1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(CO)n1
InChIInChI=1S/C26H25FN6O3/c1-15(35)30-22-8-16(17-11-29-32(2)12-17)7-21(27)24(22)23-10-20(9-19(13-34)31-23)33-6-5-26(14-28,25(33)36)18-3-4-18/h7-12,18,34H,3-6,13H2,1-2H3,(H,30,35)/t26-/m1/s1
InChIKeyGJYDKZPRUQKSPE-AREMUKBSSA-N
MW488.52 g/mol
LogP3.40
Rot. Bonds6

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

N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-(hydroxymethyl)-2-pyridinyl]-3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide (PubChem CID 153320637) has the molecular formula C26H25FN6O3 and a molecular weight of 488.52 g/mol. Its IUPAC name is N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-(hydroxymethyl)-2-pyridinyl]-3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-(hydroxymethyl)-2-pyridinyl]-3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide
PubChem CID153320637
Molecular FormulaC26H25FN6O3
Molecular Weight488.52 g/mol
Exact Mass488.20
IUPAC NameN-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-(hydroxymethyl)-2-pyridinyl]-3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnn(C)c2)cc(F)c1-c1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(CO)n1
InChIInChI=1S/C26H25FN6O3/c1-15(35)30-22-8-16(17-11-29-32(2)12-17)7-21(27)24(22)23-10-20(9-19(13-34)31-23)33-6-5-26(14-28,25(33)36)18-3-4-18/h7-12,18,34H,3-6,13H2,1-2H3,(H,30,35)/t26-/m1/s1
InChIKeyGJYDKZPRUQKSPE-AREMUKBSSA-N
XLogP3.40
TPSA124.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(hydroxymethyl)-2-pyridinyl]-3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-(hydroxymethyl)-2-pyridinyl]-3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide (CID 153320637) is N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-(hydroxymethyl)-2-pyridinyl]-3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-(hydroxymethyl)-2-pyridinyl]-3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-(hydroxymethyl)-2-pyridinyl]-3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide is CC(=O)Nc1cc(-c2cnn(C)c2)cc(F)c1-c1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(CO)n1.
What is the InChIKey of N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-(hydroxymethyl)-2-pyridinyl]-3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide?
The InChIKey is GJYDKZPRUQKSPE-AREMUKBSSA-N. The full InChI is InChI=1S/C26H25FN6O3/c1-15(35)30-22-8-16(17-11-29-32(2)12-17)7-21(27)24(22)23-10-20(9-19(13-34)31-23)33-6-5-26(14-28,25(33)36)18-3-4-18/h7-12,18,34H,3-6,13H2,1-2H3,(H,30,35)/t26-/m1/s1.
What are the key properties of N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-(hydroxymethyl)-2-pyridinyl]-3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide?
N-[2-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-(hydroxymethyl)-2-pyridinyl]-3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide has a molecular weight of 488.52 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-(hydroxymethyl)-2-pyridinyl]-3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 153320637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).