3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene

C23H23N3 — CID 71620001

IUPAC3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene
SMILESCn1cc(C2=NC3(CCCCC3)N=C2c2ccccc2)c2ccccc21
InChIInChI=1S/C23H23N3/c1-26-16-19(18-12-6-7-13-20(18)26)22-21(17-10-4-2-5-11-17)24-23(25-22)14-8-3-9-15-23/h2,4-7,10-13,16H,3,8-9,14-15H2,1H3
InChIKeySLXDJEUGIZAUGV-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.13
Rot. Bonds2

About 3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene

3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene (PubChem CID 71620001) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene
PubChem CID71620001
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene
SMILESCn1cc(C2=NC3(CCCCC3)N=C2c2ccccc2)c2ccccc21
InChIInChI=1S/C23H23N3/c1-26-16-19(18-12-6-7-13-20(18)26)22-21(17-10-4-2-5-11-17)24-23(25-22)14-8-3-9-15-23/h2,4-7,10-13,16H,3,8-9,14-15H2,1H3
InChIKeySLXDJEUGIZAUGV-UHFFFAOYSA-N
XLogP5.13
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene
CID 757371
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CID 58931542
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
2-(1-methylindol-3-yl)-4,5-diphenyl-1,3-oxazole
CID 126495223
4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one
CID 134136349
2-(1-methylindol-3-yl)phenol
CID 154709769
1-methyl-3-(2-methyloxiran-2-yl)indole
CID 82468567
2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile
CID 10752435
[1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone
CID 14069774
2-(1-methylindol-3-yl)aniline
CID 138983733
1-methyl-3-(4-methylpyrimidin-2-yl)indole
CID 134862486
1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538552

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene?
The IUPAC name of 3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene (CID 71620001) is 3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene.
What is the SMILES notation for 3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene?
The canonical SMILES for 3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene is Cn1cc(C2=NC3(CCCCC3)N=C2c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene?
The InChIKey is SLXDJEUGIZAUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-26-16-19(18-12-6-7-13-20(18)26)22-21(17-10-4-2-5-11-17)24-23(25-22)14-8-3-9-15-23/h2,4-7,10-13,16H,3,8-9,14-15H2,1H3.
What are the key properties of 3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene?
3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene has a molecular weight of 341.46 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-diene is sourced from PubChem (CID 71620001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).