[1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite

C18H15IN4O2 — CID 170365417

IUPAC[1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite
SMILESCc1nc(-c2c[nH]c3c(C#N)cccc23)cnc1OCC1(OI)CC1
InChIInChI=1S/C18H15IN4O2/c1-11-17(24-10-18(25-19)5-6-18)22-9-15(23-11)14-8-21-16-12(7-20)3-2-4-13(14)16/h2-4,8-9,21H,5-6,10H2,1H3
InChIKeyGDQWBKTXNGDVTO-UHFFFAOYSA-N
MW446.25 g/mol
LogP4.08
Rot. Bonds5

About [1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite

[1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite (PubChem CID 170365417) has the molecular formula C18H15IN4O2 and a molecular weight of 446.25 g/mol. Its IUPAC name is [1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite.

Molecular Properties

Compound Name[1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite
PubChem CID170365417
Molecular FormulaC18H15IN4O2
Molecular Weight446.25 g/mol
Exact Mass446.02
IUPAC Name[1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite
SMILESCc1nc(-c2c[nH]c3c(C#N)cccc23)cnc1OCC1(OI)CC1
InChIInChI=1S/C18H15IN4O2/c1-11-17(24-10-18(25-19)5-6-18)22-9-15(23-11)14-8-21-16-12(7-20)3-2-4-13(14)16/h2-4,8-9,21H,5-6,10H2,1H3
InChIKeyGDQWBKTXNGDVTO-UHFFFAOYSA-N
XLogP4.08
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.25
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-[[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]oxy]-6-methylpyrazin-2-yl]-1H-indole-7-carbonitrile
CID 167350539
3-[6-ethyl-5-(1-iodopyrrolidin-3-yl)oxypyrazin-2-yl]-1H-indole-7-carbonitrile
CID 170365334
3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167350661
3-[5-amino-6-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167350794
3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 175417583
tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
CID 167350834
3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile
CID 165172486
3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167351121
3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167350931
3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-7-carbonitrile
CID 175858861
3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile
CID 176569727
3-[2-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]pyrimidin-4-yl]-1H-indole-7-carbonitrile
CID 130205760

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite?
The IUPAC name of [1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite (CID 170365417) is [1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite.
What is the SMILES notation for [1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite?
The canonical SMILES for [1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite is Cc1nc(-c2c[nH]c3c(C#N)cccc23)cnc1OCC1(OI)CC1.
What is the InChIKey of [1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite?
The InChIKey is GDQWBKTXNGDVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN4O2/c1-11-17(24-10-18(25-19)5-6-18)22-9-15(23-11)14-8-21-16-12(7-20)3-2-4-13(14)16/h2-4,8-9,21H,5-6,10H2,1H3.
What are the key properties of [1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite?
[1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite has a molecular weight of 446.25 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite is sourced from PubChem (CID 170365417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).