4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

C28H31N3O2 — CID 58533564

IUPAC4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
SMILESCc1cc(Nc2ccnc3c2CCC3O)ccc1CCCc1c[nH]c2c(C(C)O)cccc12
InChIInChI=1S/C28H31N3O2/c1-17-15-21(31-25-13-14-29-28-24(25)11-12-26(28)33)10-9-19(17)5-3-6-20-16-30-27-22(18(2)32)7-4-8-23(20)27/h4,7-10,13-16,18,26,30,32-33H,3,5-6,11-12H2,1-2H3,(H,29,31)
InChIKeyPRFYBMMEGFNBLK-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.82
Rot. Bonds7

About 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (PubChem CID 58533564) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
PubChem CID58533564
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
SMILESCc1cc(Nc2ccnc3c2CCC3O)ccc1CCCc1c[nH]c2c(C(C)O)cccc12
InChIInChI=1S/C28H31N3O2/c1-17-15-21(31-25-13-14-29-28-24(25)11-12-26(28)33)10-9-19(17)5-3-6-20-16-30-27-22(18(2)32)7-4-8-23(20)27/h4,7-10,13-16,18,26,30,32-33H,3,5-6,11-12H2,1-2H3,(H,29,31)
InChIKeyPRFYBMMEGFNBLK-UHFFFAOYSA-N
XLogP5.82
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol with MolForge

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Related Compounds

[6-(benzylamino)-9H-pyrido[3,4-b]indol-3-yl]methanol
CID 5387929
(3R,4S)-6-(1H-indol-7-yl)-2,2,4,5,8-pentamethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53322300
(3R,4S)-6-(1H-indol-7-yl)-5-[(E)-methoxyiminomethyl]-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53326228
(3R,4S)-5-[(E)-ethoxyiminomethyl]-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53326229
(3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53323656
US9682968, Example-2b(+)
CID 117822670
US10660877, Example 19
CID 134329650
US10660877, Example 22
CID 134329793
6H-Pyrido(4,3-b)carbazole, 5-(hydroxymethyl)-11-methyl-
CID 355814
1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 659239
1-(1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 659418
[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methanol
CID 10014625

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The IUPAC name of 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (CID 58533564) is 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.
What is the SMILES notation for 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The canonical SMILES for 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is Cc1cc(Nc2ccnc3c2CCC3O)ccc1CCCc1c[nH]c2c(C(C)O)cccc12.
What is the InChIKey of 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The InChIKey is PRFYBMMEGFNBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-17-15-21(31-25-13-14-29-28-24(25)11-12-26(28)33)10-9-19(17)5-3-6-20-16-30-27-22(18(2)32)7-4-8-23(20)27/h4,7-10,13-16,18,26,30,32-33H,3,5-6,11-12H2,1-2H3,(H,29,31).
What are the key properties of 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol has a molecular weight of 441.58 g/mol, XLogP of 5.82, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 58533564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).