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

C29H33N3O2 — CID 58533604

IUPAC4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESCc1cc(Nc2ccnc3c2CCC3(C)O)ccc1CCCc1c[nH]c2c(C(C)O)cccc12
InChIInChI=1S/C29H33N3O2/c1-18-16-22(32-26-13-15-30-28-25(26)12-14-29(28,3)34)11-10-20(18)6-4-7-21-17-31-27-23(19(2)33)8-5-9-24(21)27/h5,8-11,13,15-17,19,31,33-34H,4,6-7,12,14H2,1-3H3,(H,30,32)
InChIKeyWYFSSWNDJGKALH-UHFFFAOYSA-N
MW455.60 g/mol
LogP6.00
Rot. Bonds7

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

4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol (PubChem CID 58533604) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol
PubChem CID58533604
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESCc1cc(Nc2ccnc3c2CCC3(C)O)ccc1CCCc1c[nH]c2c(C(C)O)cccc12
InChIInChI=1S/C29H33N3O2/c1-18-16-22(32-26-13-15-30-28-25(26)12-14-29(28,3)34)11-10-20(18)6-4-7-21-17-31-27-23(19(2)33)8-5-9-24(21)27/h5,8-11,13,15-17,19,31,33-34H,4,6-7,12,14H2,1-3H3,(H,30,32)
InChIKeyWYFSSWNDJGKALH-UHFFFAOYSA-N
XLogP6.00
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 56.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3R,4S)-6-(1H-indol-7-yl)-2,2,4,5,8-pentamethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53322300
US10660877, Example 19
CID 134329650
US10660877, Example 22
CID 134329793
6H-Pyrido(4,3-b)carbazole, 5-(hydroxymethyl)-11-methyl-
CID 355814
1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol
CID 10060979
(3R,4S)-6-(1H-indol-7-yl)-2,2,4,7,8-pentamethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53318317
(3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-5-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-3,4-dihydro-1H-quinolin-3-ol
CID 53320971
(3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-5-[(E)-phenylmethoxyiminomethyl]-3,4-dihydro-1H-quinolin-3-ol
CID 53320972
(3R,4S)-5-ethyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53322301
(3R,4S)-7-ethenyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53324945
(3R,4S)-5-ethenyl-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53326230
1H-indol-3-yl(pyridin-2-yl)methanol
CID 2810102

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The IUPAC name of 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol (CID 58533604) is 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol.
What is the SMILES notation for 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The canonical SMILES for 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol is Cc1cc(Nc2ccnc3c2CCC3(C)O)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]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The InChIKey is WYFSSWNDJGKALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-18-16-22(32-26-13-15-30-28-25(26)12-14-29(28,3)34)11-10-20(18)6-4-7-21-17-31-27-23(19(2)33)8-5-9-24(21)27/h5,8-11,13,15-17,19,31,33-34H,4,6-7,12,14H2,1-3H3,(H,30,32).
What are the key properties of 4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol?
4-[4-[3-[7-(1-hydroxyethyl)-1H-indol-3-yl]propyl]-3-methylanilino]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol has a molecular weight of 455.60 g/mol, XLogP of 6.00, 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]-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 58533604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).