(4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole

C18H20N2 — CID 125482309

IUPAC(4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole
SMILESC[C@@]12CCCN[C@H]1N(c1ccccc1)c1ccccc12
InChIInChI=1S/C18H20N2/c1-18-12-7-13-19-17(18)20(14-8-3-2-4-9-14)16-11-6-5-10-15(16)18/h2-6,8-11,17,19H,7,12-13H2,1H3/t17-,18-/m0/s1
InChIKeyPCUFEBMCQBHKOV-ROUUACIJSA-N
MW264.37 g/mol
LogP3.81
Rot. Bonds1

About (4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole

(4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole (PubChem CID 125482309) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name(4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole
PubChem CID125482309
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name(4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole
SMILESC[C@@]12CCCN[C@H]1N(c1ccccc1)c1ccccc12
InChIInChI=1S/C18H20N2/c1-18-12-7-13-19-17(18)20(14-8-3-2-4-9-14)16-11-6-5-10-15(16)18/h2-6,8-11,17,19H,7,12-13H2,1H3/t17-,18-/m0/s1
InChIKeyPCUFEBMCQBHKOV-ROUUACIJSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[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

(3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole
CID 6542885
(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
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
10,10-dimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene
CID 144782319
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 13000841
(5S,9R,16S)-3,3-dichloro-9-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-10,12,14-triene-2,4-dione
CID 11878188
2,4-dimethyl-18-phenyl-11,13,18-triazapentacyclo[9.7.0.02,4.05,10.012,17]octadeca-5,7,9,12(17),13,15-hexaene
CID 144714038
10-phenylspiro[1,2,3,4,4a,10a-hexahydrobenzo[b][1,8]naphthyridine-5,10'-1,2,3,4,4a,10a-hexahydrobenzo[g]isoquinoline]-5'-one
CID 138487309
14-ethyl-16-methyl-12-phenyl-1,12-diazahexacyclo[11.9.0.02,11.04,9.014,16.017,22]docosa-2,4,6,8,10,17,19,21-octaene
CID 143249363
3,19-dimethyl-33-phenyl-3,6,8,10,26,33-hexazaoctacyclo[17.15.0.02,10.04,9.011,16.020,25.026,34.027,32]tetratriaconta-4,6,8,11,13,15,20,22,24,27,29,31-dodecaene
CID 134386237
6-benzyl-4a-methyl-2,3,4,7a-tetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 70812884
2-(1-methyl-2,3-dihydroinden-1-yl)pyrrolidine
CID 122502681

Frequently Asked Questions

What is the IUPAC name of (4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole?
The IUPAC name of (4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole (CID 125482309) is (4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole.
What is the SMILES notation for (4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole?
The canonical SMILES for (4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole is C[C@@]12CCCN[C@H]1N(c1ccccc1)c1ccccc12.
What is the InChIKey of (4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole?
The InChIKey is PCUFEBMCQBHKOV-ROUUACIJSA-N. The full InChI is InChI=1S/C18H20N2/c1-18-12-7-13-19-17(18)20(14-8-3-2-4-9-14)16-11-6-5-10-15(16)18/h2-6,8-11,17,19H,7,12-13H2,1H3/t17-,18-/m0/s1.
What are the key properties of (4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole?
(4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole has a molecular weight of 264.37 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9aS)-4a-methyl-9-phenyl-2,3,4,9a-tetrahydro-1H-pyrido[2,3-b]indole is sourced from PubChem (CID 125482309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).