1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole

C24H29N3O2 — CID 137356310

IUPAC1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
SMILESCOc1cc2c(cc1OCCCN1CCCC1)[nH]c1ccnc(C3=CCCC3)c12
InChIInChI=1S/C24H29N3O2/c1-28-21-15-18-20(16-22(21)29-14-6-13-27-11-4-5-12-27)26-19-9-10-25-24(23(18)19)17-7-2-3-8-17/h7,9-10,15-16,26H,2-6,8,11-14H2,1H3
InChIKeyRIHIHWPFKPNRFK-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.16
Rot. Bonds7

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

1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole (PubChem CID 137356310) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
PubChem CID137356310
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
SMILESCOc1cc2c(cc1OCCCN1CCCC1)[nH]c1ccnc(C3=CCCC3)c12
InChIInChI=1S/C24H29N3O2/c1-28-21-15-18-20(16-22(21)29-14-6-13-27-11-4-5-12-27)26-19-9-10-25-24(23(18)19)17-7-2-3-8-17/h7,9-10,15-16,26H,2-6,8,11-14H2,1H3
InChIKeyRIHIHWPFKPNRFK-UHFFFAOYSA-N
XLogP5.16
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 158382631
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
8-methoxy-N-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indol-1-amine
CID 137356287
(3S)-1-[8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indol-1-yl]pyrrolidin-3-ol
CID 137356473
(E)-2-[8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indol-1-yl]-N-(methylideneamino)prop-1-en-1-amine
CID 166723374
1-fluoro-8-methoxy-3-methyl-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 166723373
1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole
CID 137356773
4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline
CID 135155324
4-(azetidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-9H-pyrimido[4,5-b]indole
CID 137356284
8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrimido[5,4-b]indole
CID 137356427
2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one
CID 130345698

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole?
The IUPAC name of 1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole (CID 137356310) is 1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole?
The canonical SMILES for 1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole is COc1cc2c(cc1OCCCN1CCCC1)[nH]c1ccnc(C3=CCCC3)c12.
What is the InChIKey of 1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole?
The InChIKey is RIHIHWPFKPNRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-28-21-15-18-20(16-22(21)29-14-6-13-27-11-4-5-12-27)26-19-9-10-25-24(23(18)19)17-7-2-3-8-17/h7,9-10,15-16,26H,2-6,8,11-14H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole?
1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole has a molecular weight of 391.52 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 137356310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).