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

C26H25FN6O2 — CID 139327479

IUPACN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide
SMILESCc1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(NC(=O)Cc2cc(F)cc(-c3cnn(C)c3)c2)n1
InChIInChI=1S/C26H25FN6O2/c1-16-7-22(33-6-5-26(15-28,25(33)35)20-3-4-20)12-23(30-16)31-24(34)10-17-8-18(11-21(27)9-17)19-13-29-32(2)14-19/h7-9,11-14,20H,3-6,10H2,1-2H3,(H,30,31,34)/t26-/m1/s1
InChIKeyJYFLKTDTXMMANH-AREMUKBSSA-N
MW472.52 g/mol
LogP3.77
Rot. Bonds6

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

N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide (PubChem CID 139327479) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-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-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide
PubChem CID139327479
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC NameN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide
SMILESCc1cc(N2CC[C@@](C#N)(C3CC3)C2=O)cc(NC(=O)Cc2cc(F)cc(-c3cnn(C)c3)c2)n1
InChIInChI=1S/C26H25FN6O2/c1-16-7-22(33-6-5-26(15-28,25(33)35)20-3-4-20)12-23(30-16)31-24(34)10-17-8-18(11-21(27)9-17)19-13-29-32(2)14-19/h7-9,11-14,20H,3-6,10H2,1-2H3,(H,30,31,34)/t26-/m1/s1
InChIKeyJYFLKTDTXMMANH-AREMUKBSSA-N
XLogP3.77
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-methyl-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-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide (CID 139327479) is N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-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-methyl-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-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide is Cc1cc(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-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide?
The InChIKey is JYFLKTDTXMMANH-AREMUKBSSA-N. The full InChI is InChI=1S/C26H25FN6O2/c1-16-7-22(33-6-5-26(15-28,25(33)35)20-3-4-20)12-23(30-16)31-24(34)10-17-8-18(11-21(27)9-17)19-13-29-32(2)14-19/h7-9,11-14,20H,3-6,10H2,1-2H3,(H,30,31,34)/t26-/m1/s1.
What are the key properties of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide?
N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide has a molecular weight of 472.52 g/mol, XLogP of 3.77, 6 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-methyl-2-pyridinyl]-2-[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 139327479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).