azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone

C22H31N3O2 — CID 69282604

IUPACazepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCCCCC4)[nH]c3c2)C1
InChIInChI=1S/C22H31N3O2/c1-16(2)25-12-9-19(15-25)27-18-8-7-17-13-21(23-20(17)14-18)22(26)24-10-5-3-4-6-11-24/h7-8,13-14,16,19,23H,3-6,9-12,15H2,1-2H3
InChIKeyBVEYDEHONVSKHO-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.05
Rot. Bonds4

About azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone

azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone (PubChem CID 69282604) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
PubChem CID69282604
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Nameazepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCCCCC4)[nH]c3c2)C1
InChIInChI=1S/C22H31N3O2/c1-16(2)25-12-9-19(15-25)27-18-8-7-17-13-21(23-20(17)14-18)22(26)24-10-5-3-4-6-11-24/h7-8,13-14,16,19,23H,3-6,9-12,15H2,1-2H3
InChIKeyBVEYDEHONVSKHO-UHFFFAOYSA-N
XLogP4.05
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69283170
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
1-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carbonyl]piperidine-4-carboxamide
CID 69283945
methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate
CID 150365162
[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone
CID 69071505
piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride
CID 11568100
[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone
CID 11617590
4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628768
[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 69283299
1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone
CID 166245873
(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122257934

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone?
The IUPAC name of azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone (CID 69282604) is azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone is CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCCCCC4)[nH]c3c2)C1.
What is the InChIKey of azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone?
The InChIKey is BVEYDEHONVSKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-16(2)25-12-9-19(15-25)27-18-8-7-17-13-21(23-20(17)14-18)22(26)24-10-5-3-4-6-11-24/h7-8,13-14,16,19,23H,3-6,9-12,15H2,1-2H3.
What are the key properties of azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone?
azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone has a molecular weight of 369.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone is sourced from PubChem (CID 69282604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).