(4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone

C25H24N2O2 — CID 142084528

IUPAC(4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone
SMILESCCc1cccc2c1cc(C)n2C(=O)c1ccc(OCCc2cccnc2)cc1
InChIInChI=1S/C25H24N2O2/c1-3-20-7-4-8-24-23(20)16-18(2)27(24)25(28)21-9-11-22(12-10-21)29-15-13-19-6-5-14-26-17-19/h4-12,14,16-17H,3,13,15H2,1-2H3
InChIKeyWRIMNOZDRFOGCL-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.22
Rot. Bonds6

About (4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone

(4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone (PubChem CID 142084528) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone
PubChem CID142084528
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone
SMILESCCc1cccc2c1cc(C)n2C(=O)c1ccc(OCCc2cccnc2)cc1
InChIInChI=1S/C25H24N2O2/c1-3-20-7-4-8-24-23(20)16-18(2)27(24)25(28)21-9-11-22(12-10-21)29-15-13-19-6-5-14-26-17-19/h4-12,14,16-17H,3,13,15H2,1-2H3
InChIKeyWRIMNOZDRFOGCL-UHFFFAOYSA-N
XLogP5.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-2-methylindol-1-yl)-[4-(3-phenylpropyl)phenyl]methanone
CID 142084471
2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl 3-pyridin-3-ylpropanoate
CID 177454612
2-[5-methoxy-2-methyl-1-[4-(2-phenylethoxy)benzoyl]indol-3-yl]acetic acid
CID 10138321
4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264970
1-[4-(4-pentoxybenzoyl)piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347771
3-(4-ethylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 108795745
3-[2-(4-butan-2-ylphenoxy)ethyl]pyridine
CID 107669015
4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 29175980
2-[2-methyl-1-[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-4-yl]ethyl acetate
CID 10185284
1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 55170164
2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 112614730
2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82914505

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone?
The IUPAC name of (4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone (CID 142084528) is (4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone.
What is the SMILES notation for (4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone?
The canonical SMILES for (4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone is CCc1cccc2c1cc(C)n2C(=O)c1ccc(OCCc2cccnc2)cc1.
What is the InChIKey of (4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone?
The InChIKey is WRIMNOZDRFOGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-3-20-7-4-8-24-23(20)16-18(2)27(24)25(28)21-9-11-22(12-10-21)29-15-13-19-6-5-14-26-17-19/h4-12,14,16-17H,3,13,15H2,1-2H3.
What are the key properties of (4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone?
(4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone has a molecular weight of 384.48 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methylindol-1-yl)-[4-(2-pyridin-3-ylethoxy)phenyl]methanone is sourced from PubChem (CID 142084528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).