(8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole

C21H24N4 — CID 100973102

IUPAC(8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
SMILESCN1CC[C@@]2([C@]34CCNC3Nc3ccccc34)c3ccccc3NC12
InChIInChI=1S/C21H24N4/c1-25-13-11-21(15-7-3-5-9-17(15)24-19(21)25)20-10-12-22-18(20)23-16-8-4-2-6-14(16)20/h2-9,18-19,22-24H,10-13H2,1H3/t18?,19?,20-,21+/m0/s1
InChIKeyGIJFCQMARBCAJG-NSKBAKJYSA-N
MW332.45 g/mol
LogP2.69
Rot. Bonds1

About (8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole

(8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole (PubChem CID 100973102) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is (8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole.

Molecular Properties

Compound Name(8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
PubChem CID100973102
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name(8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
SMILESCN1CC[C@@]2([C@]34CCNC3Nc3ccccc34)c3ccccc3NC12
InChIInChI=1S/C21H24N4/c1-25-13-11-21(15-7-3-5-9-17(15)24-19(21)25)20-10-12-22-18(20)23-16-8-4-2-6-14(16)20/h2-9,18-19,22-24H,10-13H2,1H3/t18?,19?,20-,21+/m0/s1
InChIKeyGIJFCQMARBCAJG-NSKBAKJYSA-N
XLogP2.69
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole 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

(3aS,8bS)-5-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-8b-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 23650594
(3aR,8bR)-5-[(3aR,8bR)-5-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-8b-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 162901349
(3aR,8bR)-8b-[(3aR,8bR)-5-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-5-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 132602258
(3aR,8bR)-5-[(3aR,8bR)-5-[(3aS,8bS)-5-[(3aR,8bR)-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-8b-[(3aR,8bR)-5-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 162916295
(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole
CID 141076410
(3aR,8bS)-8b-[(3aS,8bR)-8b-[(3aS,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-5-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 134962076
5-[(3aR,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-8b-yl]-14-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene
CID 138569593
(3aS)-8b-[(3aS,8bR)-2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-yl]-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CID 158266146
4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole
CID 162970300
(3aR,8bS)-8b-[(3aR,8bS)-4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl]-4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole
CID 15459547
8b-(2-methylbut-3-en-2-yl)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole
CID 72800916
(E)-4-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-2-methylbut-2-en-1-ol
CID 5326051

Frequently Asked Questions

What is the IUPAC name of (8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole?
The IUPAC name of (8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole (CID 100973102) is (8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole.
What is the SMILES notation for (8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole?
The canonical SMILES for (8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole is CN1CC[C@@]2([C@]34CCNC3Nc3ccccc34)c3ccccc3NC12.
What is the InChIKey of (8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole?
The InChIKey is GIJFCQMARBCAJG-NSKBAKJYSA-N. The full InChI is InChI=1S/C21H24N4/c1-25-13-11-21(15-7-3-5-9-17(15)24-19(21)25)20-10-12-22-18(20)23-16-8-4-2-6-14(16)20/h2-9,18-19,22-24H,10-13H2,1H3/t18?,19?,20-,21+/m0/s1.
What are the key properties of (8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole?
(8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole has a molecular weight of 332.45 g/mol, XLogP of 2.69, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8bS)-8b-[(8bR)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole is sourced from PubChem (CID 100973102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).