(7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

C29H33N3O2 — CID 58533565

IUPAC(7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
SMILESCc1cc(Nc2ccnc3c2CC[C@H]3O)ccc1CCCc1c[nH]c2c(C(C)(C)O)cccc12
InChIInChI=1S/C29H33N3O2/c1-18-16-21(32-25-14-15-30-28-23(25)12-13-26(28)33)11-10-19(18)6-4-7-20-17-31-27-22(20)8-5-9-24(27)29(2,3)34/h5,8-11,14-17,26,31,33-34H,4,6-7,12-13H2,1-3H3,(H,30,32)/t26-/m1/s1
InChIKeyGVHLCYHMCYTTLI-AREMUKBSSA-N
MW455.60 g/mol
LogP6.00
Rot. Bonds7

About (7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

(7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (PubChem CID 58533565) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is (7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name(7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
PubChem CID58533565
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name(7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
SMILESCc1cc(Nc2ccnc3c2CC[C@H]3O)ccc1CCCc1c[nH]c2c(C(C)(C)O)cccc12
InChIInChI=1S/C29H33N3O2/c1-18-16-21(32-25-14-15-30-28-23(25)12-13-26(28)33)11-10-19(18)6-4-7-20-17-31-27-22(20)8-5-9-24(27)29(2,3)34/h5,8-11,14-17,26,31,33-34H,4,6-7,12-13H2,1-3H3,(H,30,32)/t26-/m1/s1
InChIKeyGVHLCYHMCYTTLI-AREMUKBSSA-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 (7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol with MolForge

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Launch Full Analysis

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
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-[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

Frequently Asked Questions

What is the IUPAC name of (7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The IUPAC name of (7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (CID 58533565) is (7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.
What is the SMILES notation for (7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The canonical SMILES for (7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is Cc1cc(Nc2ccnc3c2CC[C@H]3O)ccc1CCCc1c[nH]c2c(C(C)(C)O)cccc12.
What is the InChIKey of (7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The InChIKey is GVHLCYHMCYTTLI-AREMUKBSSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-18-16-21(32-25-14-15-30-28-23(25)12-13-26(28)33)11-10-19(18)6-4-7-20-17-31-27-22(20)8-5-9-24(27)29(2,3)34/h5,8-11,14-17,26,31,33-34H,4,6-7,12-13H2,1-3H3,(H,30,32)/t26-/m1/s1.
What are the key properties of (7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
(7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[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 (7R)-4-[4-[3-[7-(2-hydroxypropan-2-yl)-1H-indol-3-yl]propyl]-3-methylanilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 58533565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).