N-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide

C25H21F3N4O2 — CID 122653558

IUPACN-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(N[C@H]1CCNC1=O)c1cccc2c1CCN2c1ccnc(Cc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C25H21F3N4O2/c26-19-11-14(12-20(27)23(19)28)10-15-13-16(4-7-29-15)32-9-6-17-18(2-1-3-22(17)32)24(33)31-21-5-8-30-25(21)34/h1-4,7,11-13,21H,5-6,8-10H2,(H,30,34)(H,31,33)/t21-/m0/s1
InChIKeyNZOSDYGJUIBTGI-NRFANRHFSA-N
MW466.46 g/mol
LogP3.40
Rot. Bonds5

About N-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide

N-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653558) has the molecular formula C25H21F3N4O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is N-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653558
Molecular FormulaC25H21F3N4O2
Molecular Weight466.46 g/mol
Exact Mass466.16
IUPAC NameN-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESO=C(N[C@H]1CCNC1=O)c1cccc2c1CCN2c1ccnc(Cc2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C25H21F3N4O2/c26-19-11-14(12-20(27)23(19)28)10-15-13-16(4-7-29-15)32-9-6-17-18(2-1-3-22(17)32)24(33)31-21-5-8-30-25(21)34/h1-4,7,11-13,21H,5-6,8-10H2,(H,30,34)(H,31,33)/t21-/m0/s1
InChIKeyNZOSDYGJUIBTGI-NRFANRHFSA-N
XLogP3.40
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 122653558) is N-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide is O=C(N[C@H]1CCNC1=O)c1cccc2c1CCN2c1ccnc(Cc2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of N-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is NZOSDYGJUIBTGI-NRFANRHFSA-N. The full InChI is InChI=1S/C25H21F3N4O2/c26-19-11-14(12-20(27)23(19)28)10-15-13-16(4-7-29-15)32-9-6-17-18(2-1-3-22(17)32)24(33)31-21-5-8-30-25(21)34/h1-4,7,11-13,21H,5-6,8-10H2,(H,30,34)(H,31,33)/t21-/m0/s1.
What are the key properties of N-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide?
N-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 466.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxopyrrolidin-3-yl]-1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).