[3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone

C20H26N4O2 — CID 46964936

IUPAC[3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1nccc1C(=O)N1CC(CN2CCOCC2)c2ccccc21
InChIInChI=1S/C20H26N4O2/c1-15(2)24-19(7-8-21-24)20(25)23-14-16(13-22-9-11-26-12-10-22)17-5-3-4-6-18(17)23/h3-8,15-16H,9-14H2,1-2H3
InChIKeyPIGWXLZQXOVRKM-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.54
Rot. Bonds4

About [3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone

[3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 46964936) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
PubChem CID46964936
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1nccc1C(=O)N1CC(CN2CCOCC2)c2ccccc21
InChIInChI=1S/C20H26N4O2/c1-15(2)24-19(7-8-21-24)20(25)23-14-16(13-22-9-11-26-12-10-22)17-5-3-4-6-18(17)23/h3-8,15-16H,9-14H2,1-2H3
InChIKeyPIGWXLZQXOVRKM-UHFFFAOYSA-N
XLogP2.54
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone (CID 46964936) is [3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone is CC(C)n1nccc1C(=O)N1CC(CN2CCOCC2)c2ccccc21.
What is the InChIKey of [3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is PIGWXLZQXOVRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(2)24-19(7-8-21-24)20(25)23-14-16(13-22-9-11-26-12-10-22)17-5-3-4-6-18(17)23/h3-8,15-16H,9-14H2,1-2H3.
What are the key properties of [3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone?
[3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 46964936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).