(2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol

C24H24ClN3O2 — CID 57229455

IUPAC(2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
SMILESO[C@H](COc1cccc2[nH]ccc12)CN1CC=C(c2c[nH]c3c(Cl)cccc23)CC1
InChIInChI=1S/C24H24ClN3O2/c25-21-4-1-3-18-20(13-27-24(18)21)16-8-11-28(12-9-16)14-17(29)15-30-23-6-2-5-22-19(23)7-10-26-22/h1-8,10,13,17,26-27,29H,9,11-12,14-15H2/t17-/m0/s1
InChIKeyUGVGWWPQJDGWKU-KRWDZBQOSA-N
MW421.93 g/mol
LogP4.83
Rot. Bonds6

About (2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol

(2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol (PubChem CID 57229455) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is (2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
PubChem CID57229455
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name(2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
SMILESO[C@H](COc1cccc2[nH]ccc12)CN1CC=C(c2c[nH]c3c(Cl)cccc23)CC1
InChIInChI=1S/C24H24ClN3O2/c25-21-4-1-3-18-20(13-27-24(18)21)16-8-11-28(12-9-16)14-17(29)15-30-23-6-2-5-22-19(23)7-10-26-22/h1-8,10,13,17,26-27,29H,9,11-12,14-15H2/t17-/m0/s1
InChIKeyUGVGWWPQJDGWKU-KRWDZBQOSA-N
XLogP4.83
TPSA64.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 4828
CID 4828
CID 71739
CID 71739
CID 688095
CID 688095
CID 3072986
CID 3072986
CID 13023332
CID 13023332
CID 9838216
CID 9838216
CID 13626879
CID 13626879
CID 129896798
CID 129896798
CID 3858663
CID 3858663
CID 155030
CID 155030
CID 9861435
CID 9861435
CID 9884480
CID 9884480

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?
The IUPAC name of (2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol (CID 57229455) is (2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?
The canonical SMILES for (2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol is O[C@H](COc1cccc2[nH]ccc12)CN1CC=C(c2c[nH]c3c(Cl)cccc23)CC1.
What is the InChIKey of (2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?
The InChIKey is UGVGWWPQJDGWKU-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c25-21-4-1-3-18-20(13-27-24(18)21)16-8-11-28(12-9-16)14-17(29)15-30-23-6-2-5-22-19(23)7-10-26-22/h1-8,10,13,17,26-27,29H,9,11-12,14-15H2/t17-/m0/s1.
What are the key properties of (2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol?
(2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol has a molecular weight of 421.93 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol is sourced from PubChem (CID 57229455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).