1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole

C23H29N3O2 — CID 137356773

IUPAC1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole
SMILESCOc1cc2c(cc1OCCCN1CCCC1C)[nH]c1ccnc(C3CC3)c12
InChIInChI=1S/C23H29N3O2/c1-15-5-3-10-26(15)11-4-12-28-21-14-19-17(13-20(21)27-2)22-18(25-19)8-9-24-23(22)16-6-7-16/h8-9,13-16,25H,3-7,10-12H2,1-2H3
InChIKeySPMYJNXENSICSS-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.86
Rot. Bonds7

About 1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole

1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole (PubChem CID 137356773) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole
PubChem CID137356773
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole
SMILESCOc1cc2c(cc1OCCCN1CCCC1C)[nH]c1ccnc(C3CC3)c12
InChIInChI=1S/C23H29N3O2/c1-15-5-3-10-26(15)11-4-12-28-21-14-19-17(13-20(21)27-2)22-18(25-19)8-9-24-23(22)16-6-7-16/h8-9,13-16,25H,3-7,10-12H2,1-2H3
InChIKeySPMYJNXENSICSS-UHFFFAOYSA-N
XLogP4.86
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.86
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole?
The IUPAC name of 1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole (CID 137356773) is 1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole?
The canonical SMILES for 1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole is COc1cc2c(cc1OCCCN1CCCC1C)[nH]c1ccnc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole?
The InChIKey is SPMYJNXENSICSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-15-5-3-10-26(15)11-4-12-28-21-14-19-17(13-20(21)27-2)22-18(25-19)8-9-24-23(22)16-6-7-16/h8-9,13-16,25H,3-7,10-12H2,1-2H3.
What are the key properties of 1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole?
1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole has a molecular weight of 379.50 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-methoxy-7-[3-(2-methylpyrrolidin-1-yl)propoxy]-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 137356773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).