8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole

C22H29N3O2 — CID 137357364

IUPAC8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
SMILESCOC[C@@H](C)c1cc2c(cc1OCCCN1CCCC1)[nH]c1ccncc12
InChIInChI=1S/C22H29N3O2/c1-16(15-26-2)17-12-18-19-14-23-7-6-20(19)24-21(18)13-22(17)27-11-5-10-25-8-3-4-9-25/h6-7,12-14,16,24H,3-5,8-11,15H2,1-2H3/t16-/m1/s1
InChIKeyZGCNYHVKRYUZOB-MRXNPFEDSA-N
MW367.49 g/mol
LogP4.33
Rot. Bonds8

About 8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole

8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole (PubChem CID 137357364) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
PubChem CID137357364
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
SMILESCOC[C@@H](C)c1cc2c(cc1OCCCN1CCCC1)[nH]c1ccncc12
InChIInChI=1S/C22H29N3O2/c1-16(15-26-2)17-12-18-19-14-23-7-6-20(19)24-21(18)13-22(17)27-11-5-10-25-8-3-4-9-25/h6-7,12-14,16,24H,3-5,8-11,15H2,1-2H3/t16-/m1/s1
InChIKeyZGCNYHVKRYUZOB-MRXNPFEDSA-N
XLogP4.33
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-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

8-methoxy-N-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indol-1-amine
CID 137356287
8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrimido[5,4-b]indole
CID 137356427
3-cyclopropyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole;hydrochloride
CID 137356805
7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole
CID 167423136
8-methoxy-1-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 137356382
N,N-diethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indol-1-amine
CID 137356420
2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one
CID 130345698
1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 137356310
1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 158382631
(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 82000959
(3S)-1-[8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indol-1-yl]pyrrolidin-3-ol
CID 137356473
1-fluoro-8-methoxy-3-methyl-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 166723373

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole?
The IUPAC name of 8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole (CID 137357364) is 8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole?
The canonical SMILES for 8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole is COC[C@@H](C)c1cc2c(cc1OCCCN1CCCC1)[nH]c1ccncc12.
What is the InChIKey of 8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole?
The InChIKey is ZGCNYHVKRYUZOB-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(15-26-2)17-12-18-19-14-23-7-6-20(19)24-21(18)13-22(17)27-11-5-10-25-8-3-4-9-25/h6-7,12-14,16,24H,3-5,8-11,15H2,1-2H3/t16-/m1/s1.
What are the key properties of 8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole?
8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole has a molecular weight of 367.49 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 137357364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).