[1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

C23H30N6O — CID 16722500

IUPAC[1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCn1nnnc1CCn1ccc2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)ccc21
InChIInChI=1S/C23H30N6O/c1-22(2)12-18-13-23(3,14-22)15-29(18)21(30)17-5-6-19-16(11-17)7-9-28(19)10-8-20-24-25-26-27(20)4/h5-7,9,11,18H,8,10,12-15H2,1-4H3
InChIKeyYBKZYWDRQPZIFT-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.45
Rot. Bonds4

About [1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

[1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (PubChem CID 16722500) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is [1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.

Molecular Properties

Compound Name[1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
PubChem CID16722500
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name[1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCn1nnnc1CCn1ccc2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)ccc21
InChIInChI=1S/C23H30N6O/c1-22(2)12-18-13-23(3,14-22)15-29(18)21(30)17-5-6-19-16(11-17)7-9-28(19)10-8-20-24-25-26-27(20)4/h5-7,9,11,18H,8,10,12-15H2,1-4H3
InChIKeyYBKZYWDRQPZIFT-UHFFFAOYSA-N
XLogP3.45
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The IUPAC name of [1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (CID 16722500) is [1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.
What is the SMILES notation for [1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The canonical SMILES for [1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is Cn1nnnc1CCn1ccc2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)ccc21.
What is the InChIKey of [1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The InChIKey is YBKZYWDRQPZIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-22(2)12-18-13-23(3,14-22)15-29(18)21(30)17-5-6-19-16(11-17)7-9-28(19)10-8-20-24-25-26-27(20)4/h5-7,9,11,18H,8,10,12-15H2,1-4H3.
What are the key properties of [1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
[1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone has a molecular weight of 406.53 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-methyltetrazol-5-yl)ethyl]indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is sourced from PubChem (CID 16722500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).