3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole

C18H17N5 — CID 66846763

IUPAC3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole
SMILESC1=C2CN(c3ccc(-c4c[nH]c5ccccc45)nn3)CC2CN1
InChIInChI=1S/C18H17N5/c1-2-4-16-14(3-1)15(9-20-16)17-5-6-18(22-21-17)23-10-12-7-19-8-13(12)11-23/h1-7,9,13,19-20H,8,10-11H2
InChIKeyKTIZHMIVKAQUSJ-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.55
Rot. Bonds2

About 3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole

3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole (PubChem CID 66846763) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole.

Molecular Properties

Compound Name3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole
PubChem CID66846763
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole
SMILESC1=C2CN(c3ccc(-c4c[nH]c5ccccc45)nn3)CC2CN1
InChIInChI=1S/C18H17N5/c1-2-4-16-14(3-1)15(9-20-16)17-5-6-18(22-21-17)23-10-12-7-19-8-13(12)11-23/h1-7,9,13,19-20H,8,10-11H2
InChIKeyKTIZHMIVKAQUSJ-UHFFFAOYSA-N
XLogP2.55
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole with MolForge

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Related Compounds

(E)-but-2-enedioic acid;3-[6-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole
CID 162339514
4-(1H-indol-3-yl)imidazole-1,2-diamine
CID 82284365
3-[6-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridazin-3-yl]-1H-indole;(E)-but-2-enedioic acid
CID 67070112
4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole
CID 123362451
4-(1H-indol-3-yl)-3,5,6,13-tetrazatricyclo[7.3.1.03,7]trideca-4,6-diene
CID 167746153
4-(1H-indol-3-yl)-1,3-oxazole
CID 45276627
6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid
CID 82388103
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30354211
3-[4-cyclopropyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]-1H-indole
CID 135623263
3-(2-bromophenyl)-6-(3-methylpiperazin-1-yl)pyridazine
CID 116972688

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole?
The IUPAC name of 3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole (CID 66846763) is 3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole.
What is the SMILES notation for 3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole?
The canonical SMILES for 3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole is C1=C2CN(c3ccc(-c4c[nH]c5ccccc45)nn3)CC2CN1.
What is the InChIKey of 3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole?
The InChIKey is KTIZHMIVKAQUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-2-4-16-14(3-1)15(9-20-16)17-5-6-18(22-21-17)23-10-12-7-19-8-13(12)11-23/h1-7,9,13,19-20H,8,10-11H2.
What are the key properties of 3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole?
3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole has a molecular weight of 303.37 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole is sourced from PubChem (CID 66846763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).