4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole

C20H22N4 — CID 25157045

IUPAC4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole
SMILESCN1CC2CN(c3ccc(-c4cccc5[nH]ccc45)nc3)CC2C1
InChIInChI=1S/C20H22N4/c1-23-10-14-12-24(13-15(14)11-23)16-5-6-20(22-9-16)17-3-2-4-19-18(17)7-8-21-19/h2-9,14-15,21H,10-13H2,1H3
InChIKeyQSLMKMXZMBVZPK-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.23
Rot. Bonds2

About 4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole

4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole (PubChem CID 25157045) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole.

Molecular Properties

Compound Name4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole
PubChem CID25157045
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole
SMILESCN1CC2CN(c3ccc(-c4cccc5[nH]ccc45)nc3)CC2C1
InChIInChI=1S/C20H22N4/c1-23-10-14-12-24(13-15(14)11-23)16-5-6-20(22-9-16)17-3-2-4-19-18(17)7-8-21-19/h2-9,14-15,21H,10-13H2,1H3
InChIKeyQSLMKMXZMBVZPK-UHFFFAOYSA-N
XLogP3.23
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-1H-indole;2,2,2-trifluoroacetic acid
CID 67162337
4-[6-[(1S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]pyridazin-3-yl]-1H-indole
CID 123362451
4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
CID 42610313
4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
CID 117303081
(3aS,6aS)-5-(4-fluorophenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170208688
4-methylbenzenesulfonic acid;2-methyl-5-[6-(3-nitrophenyl)-3-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 56661136
6-(1H-indol-4-yl)-N-propan-2-ylpyrimidin-4-amine
CID 56717582
4-(1H-indol-4-yl)pyrimidin-2-amine
CID 24957719
4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 124940343
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine
CID 83127327
(2R,3S)-N-[5-(1H-indol-4-yl)pyrimidin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67492083
1H-indol-4-yl 1-methylazetidine-3-carboxylate
CID 175856178

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole?
The IUPAC name of 4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole (CID 25157045) is 4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole.
What is the SMILES notation for 4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole?
The canonical SMILES for 4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole is CN1CC2CN(c3ccc(-c4cccc5[nH]ccc45)nc3)CC2C1.
What is the InChIKey of 4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole?
The InChIKey is QSLMKMXZMBVZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-23-10-14-12-24(13-15(14)11-23)16-5-6-20(22-9-16)17-3-2-4-19-18(17)7-8-21-19/h2-9,14-15,21H,10-13H2,1H3.
What are the key properties of 4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole?
4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole has a molecular weight of 318.42 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole is sourced from PubChem (CID 25157045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).