8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C23H32N6 — CID 146069068

IUPAC8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CC(c2nncn2C)C2(CCN(Cc3ccc4cc[nH]c4c3)CC2)C1
InChIInChI=1S/C23H32N6/c1-17(2)29-14-20(22-26-25-16-27(22)3)23(15-29)7-10-28(11-8-23)13-18-4-5-19-6-9-24-21(19)12-18/h4-6,9,12,16-17,20,24H,7-8,10-11,13-15H2,1-3H3
InChIKeyZJRNPYDBMPWLFU-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.39
Rot. Bonds4

About 8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 146069068) has the molecular formula C23H32N6 and a molecular weight of 392.55 g/mol. Its IUPAC name is 8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID146069068
Molecular FormulaC23H32N6
Molecular Weight392.55 g/mol
Exact Mass392.27
IUPAC Name8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CC(c2nncn2C)C2(CCN(Cc3ccc4cc[nH]c4c3)CC2)C1
InChIInChI=1S/C23H32N6/c1-17(2)29-14-20(22-26-25-16-27(22)3)23(15-29)7-10-28(11-8-23)13-18-4-5-19-6-9-24-21(19)12-18/h4-6,9,12,16-17,20,24H,7-8,10-11,13-15H2,1-3H3
InChIKeyZJRNPYDBMPWLFU-UHFFFAOYSA-N
XLogP3.39
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

8-ethylsulfonyl-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 146069080
4-(4-methyl-1,2,4-triazol-3-yl)-2-(oxan-4-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 146067718
2-(4-methoxyphenoxy)-1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 146067712
9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 110196168
1-[4-(4-methyl-1,2,4-triazol-3-yl)-8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl]-2-phenoxyethanone
CID 146071677
cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 146069092
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 110104329
6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole
CID 110110865
[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
CID 23725525
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(4-methyl-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone;hydrochloride
CID 171326148
6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole
CID 174880167

Frequently Asked Questions

What is the IUPAC name of 8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 146069068) is 8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is CC(C)N1CC(c2nncn2C)C2(CCN(Cc3ccc4cc[nH]c4c3)CC2)C1.
What is the InChIKey of 8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is ZJRNPYDBMPWLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6/c1-17(2)29-14-20(22-26-25-16-27(22)3)23(15-29)7-10-28(11-8-23)13-18-4-5-19-6-9-24-21(19)12-18/h4-6,9,12,16-17,20,24H,7-8,10-11,13-15H2,1-3H3.
What are the key properties of 8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 392.55 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-indol-6-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 146069068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).