(4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

C20H21ClN4O2 — CID 71724959

IUPAC(4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2c(Cl)cccc2[nH]1)N1CCN(CCOc2cccnc2)CC1
InChIInChI=1S/C20H21ClN4O2/c21-17-4-1-5-18-16(17)13-19(23-18)20(26)25-9-7-24(8-10-25)11-12-27-15-3-2-6-22-14-15/h1-6,13-14,23H,7-12H2
InChIKeyXDJJCVLGIOECKZ-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.05
Rot. Bonds5

About (4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

(4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (PubChem CID 71724959) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is (4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
PubChem CID71724959
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name(4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2c(Cl)cccc2[nH]1)N1CCN(CCOc2cccnc2)CC1
InChIInChI=1S/C20H21ClN4O2/c21-17-4-1-5-18-16(17)13-19(23-18)20(26)25-9-7-24(8-10-25)11-12-27-15-3-2-6-22-14-15/h1-6,13-14,23H,7-12H2
InChIKeyXDJJCVLGIOECKZ-UHFFFAOYSA-N
XLogP3.05
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1H-indole-3-carboxylic acid[6-(2-chloro-pyridin-3-yloxy)-pyridin-3-yl]-amide
CID 24894071
5-chloropyridin-3-yl 1H-indole-2-carboxylate
CID 16204322
acs.jmedchem.1c00409_ST.430
CID 155925842
1H-indol-2-yl-[4-(3-isopropoxy-2-pyridyl)piperazin-1-yl]methanone
CID 468307
N-[4-[4-(3-chloro-2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 122183769
(5-chloro-1H-indol-2-yl)[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3972918
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 455390
[4-[(3-ethoxy-2-pyridyl)-methyl-amino]-1-piperidyl]-(1H-indol-2-yl)methanone
CID 468316
1H-indol-2-yl-[4-[(3-isopropoxy-2-pyridyl)-methyl-amino]-1-piperidyl]methanone
CID 468317
N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)-1H-indole-2-carboxamide
CID 44251315
2-[3-(2-chlorophenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 44467636
[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-c]pyridin-2-yl)methanone
CID 71724996

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (CID 71724959) is (4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is O=C(c1cc2c(Cl)cccc2[nH]1)N1CCN(CCOc2cccnc2)CC1.
What is the InChIKey of (4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The InChIKey is XDJJCVLGIOECKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-17-4-1-5-18-16(17)13-19(23-18)20(26)25-9-7-24(8-10-25)11-12-27-15-3-2-6-22-14-15/h1-6,13-14,23H,7-12H2.
What are the key properties of (4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
(4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone has a molecular weight of 384.87 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71724959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).