6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol

C26H29N3O — CID 123973321

IUPAC6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol
SMILESCCN(CC)CCn1c2ccc(-c3ccncc3)cc2c2c3c(ccc21)C(O)CC3
InChIInChI=1S/C26H29N3O/c1-3-28(4-2)15-16-29-23-8-5-19(18-11-13-27-14-12-18)17-22(23)26-21-7-10-25(30)20(21)6-9-24(26)29/h5-6,8-9,11-14,17,25,30H,3-4,7,10,15-16H2,1-2H3
InChIKeyYMWLSLSYLBQBEV-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.18
Rot. Bonds6

About 6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol

6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol (PubChem CID 123973321) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol.

Molecular Properties

Compound Name6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol
PubChem CID123973321
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol
SMILESCCN(CC)CCn1c2ccc(-c3ccncc3)cc2c2c3c(ccc21)C(O)CC3
InChIInChI=1S/C26H29N3O/c1-3-28(4-2)15-16-29-23-8-5-19(18-11-13-27-14-12-18)17-22(23)26-21-7-10-25(30)20(21)6-9-24(26)29/h5-6,8-9,11-14,17,25,30H,3-4,7,10,15-16H2,1-2H3
InChIKeyYMWLSLSYLBQBEV-UHFFFAOYSA-N
XLogP5.18
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol?
The IUPAC name of 6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol (CID 123973321) is 6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol.
What is the SMILES notation for 6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol?
The canonical SMILES for 6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol is CCN(CC)CCn1c2ccc(-c3ccncc3)cc2c2c3c(ccc21)C(O)CC3.
What is the InChIKey of 6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol?
The InChIKey is YMWLSLSYLBQBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-3-28(4-2)15-16-29-23-8-5-19(18-11-13-27-14-12-18)17-22(23)26-21-7-10-25(30)20(21)6-9-24(26)29/h5-6,8-9,11-14,17,25,30H,3-4,7,10,15-16H2,1-2H3.
What are the key properties of 6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol?
6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol has a molecular weight of 399.54 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethyl]-9-pyridin-4-yl-2,3-dihydro-1H-cyclopenta[c]carbazol-3-ol is sourced from PubChem (CID 123973321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).