2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide

C17H18N4O3 — CID 164642828

IUPAC2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide
SMILESO=C1Cc2ccc(CC(=O)N[C@H]3CCO[C@@H]3c3ccn[nH]3)cc2N1
InChIInChI=1S/C17H18N4O3/c22-15(8-10-1-2-11-9-16(23)20-14(11)7-10)19-12-4-6-24-17(12)13-3-5-18-21-13/h1-3,5,7,12,17H,4,6,8-9H2,(H,18,21)(H,19,22)(H,20,23)/t12-,17-/m0/s1
InChIKeyDILIMLHDBFZGKI-SJCJKPOMSA-N
MW326.36 g/mol
LogP1.09
Rot. Bonds4

About 2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide

2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide (PubChem CID 164642828) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide
PubChem CID164642828
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide
SMILESO=C1Cc2ccc(CC(=O)N[C@H]3CCO[C@@H]3c3ccn[nH]3)cc2N1
InChIInChI=1S/C17H18N4O3/c22-15(8-10-1-2-11-9-16(23)20-14(11)7-10)19-12-4-6-24-17(12)13-3-5-18-21-13/h1-3,5,7,12,17H,4,6,8-9H2,(H,18,21)(H,19,22)(H,20,23)/t12-,17-/m0/s1
InChIKeyDILIMLHDBFZGKI-SJCJKPOMSA-N
XLogP1.09
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide (CID 164642828) is 2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide is O=C1Cc2ccc(CC(=O)N[C@H]3CCO[C@@H]3c3ccn[nH]3)cc2N1.
What is the InChIKey of 2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
The InChIKey is DILIMLHDBFZGKI-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-15(8-10-1-2-11-9-16(23)20-14(11)7-10)19-12-4-6-24-17(12)13-3-5-18-21-13/h1-3,5,7,12,17H,4,6,8-9H2,(H,18,21)(H,19,22)(H,20,23)/t12-,17-/m0/s1.
What are the key properties of 2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dihydroindol-6-yl)-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 164642828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).