7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole

C27H33N3O — CID 118489654

IUPAC7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole
SMILESCc1ccc2c(c1)c1c(n2CC(OC2CCCC2)c2ccncc2)CCN2CCCC12
InChIInChI=1S/C27H33N3O/c1-19-8-9-23-22(17-19)27-24-7-4-15-29(24)16-12-25(27)30(23)18-26(20-10-13-28-14-11-20)31-21-5-2-3-6-21/h8-11,13-14,17,21,24,26H,2-7,12,15-16,18H2,1H3
InChIKeyCBVQZDZHPLQXHE-UHFFFAOYSA-N
MW415.58 g/mol
LogP5.74
Rot. Bonds5

About 7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole

7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole (PubChem CID 118489654) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is 7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole.

Molecular Properties

Compound Name7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole
PubChem CID118489654
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC Name7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole
SMILESCc1ccc2c(c1)c1c(n2CC(OC2CCCC2)c2ccncc2)CCN2CCCC12
InChIInChI=1S/C27H33N3O/c1-19-8-9-23-22(17-19)27-24-7-4-15-29(24)16-12-25(27)30(23)18-26(20-10-13-28-14-11-20)31-21-5-2-3-6-21/h8-11,13-14,17,21,24,26H,2-7,12,15-16,18H2,1H3
InChIKeyCBVQZDZHPLQXHE-UHFFFAOYSA-N
XLogP5.74
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

CID 9889994
CID 9889994
CID 9980526
CID 9980526
CID 10362072
CID 10362072
CID 3545527
CID 3545527
CID 14789979
CID 14789979
CID 14789984
CID 14789984
CID 14815239
CID 14815239
CID 15176150
CID 15176150
CID 15176152
CID 15176152
CID 15176157
CID 15176157
CID 15176159
CID 15176159
CID 15176165
CID 15176165

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole?
The IUPAC name of 7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole (CID 118489654) is 7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole.
What is the SMILES notation for 7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole?
The canonical SMILES for 7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole is Cc1ccc2c(c1)c1c(n2CC(OC2CCCC2)c2ccncc2)CCN2CCCC12.
What is the InChIKey of 7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole?
The InChIKey is CBVQZDZHPLQXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O/c1-19-8-9-23-22(17-19)27-24-7-4-15-29(24)16-12-25(27)30(23)18-26(20-10-13-28-14-11-20)31-21-5-2-3-6-21/h8-11,13-14,17,21,24,26H,2-7,12,15-16,18H2,1H3.
What are the key properties of 7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole?
7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole has a molecular weight of 415.58 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclopentyloxy-2-pyridin-4-ylethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole is sourced from PubChem (CID 118489654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).