1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone

C27H25ClN4O2 — CID 22710742

IUPAC1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone
SMILESCC(=O)n1c(N2CCN(C(=O)c3ccc(-c4ccnc(C)c4)cc3)CC2)cc2cc(Cl)ccc21
InChIInChI=1S/C27H25ClN4O2/c1-18-15-22(9-10-29-18)20-3-5-21(6-4-20)27(34)31-13-11-30(12-14-31)26-17-23-16-24(28)7-8-25(23)32(26)19(2)33/h3-10,15-17H,11-14H2,1-2H3
InChIKeyZDCFYUUGOLDDTJ-UHFFFAOYSA-N
MW472.98 g/mol
LogP5.29
Rot. Bonds3

About 1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone

1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone (PubChem CID 22710742) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is 1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone
PubChem CID22710742
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC Name1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone
SMILESCC(=O)n1c(N2CCN(C(=O)c3ccc(-c4ccnc(C)c4)cc3)CC2)cc2cc(Cl)ccc21
InChIInChI=1S/C27H25ClN4O2/c1-18-15-22(9-10-29-18)20-3-5-21(6-4-20)27(34)31-13-11-30(12-14-31)26-17-23-16-24(28)7-8-25(23)32(26)19(2)33/h3-10,15-17H,11-14H2,1-2H3
InChIKeyZDCFYUUGOLDDTJ-UHFFFAOYSA-N
XLogP5.29
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.98
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone with MolForge

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Related Compounds

Thz531
CID 118025540
1H-Indole-1-acetamide, N-(5-chloro-2-pyridinyl)-2-[[[1-(1-methylethyl)-4-piperidinyl]amino]carbonyl]-
CID 10095455
Indole naphthyridinone 21
CID 6539896
4-Chloro-3-[4-(2-methyl-imidazo[4,5-b]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10552376
5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-{[methyl-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-amino]-methyl}-benzoylamino)-benzamide
CID 18727836
1-(4-Chlorobenzoyl)-2,3-dihydro8-(4-methylpiperazin-1-yl)pyrrolo[3,2-g]isoquinoline
CID 44404225
N-(2-aminoethyl)-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide
CID 57877024
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-(4-methyl-1,4-diazepan-1-yl)phenyl]benzoyl]amino]benzamide
CID 44385447
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-(dimethylamino)phenyl]benzoyl]amino]benzamide
CID 44385500
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-(4-methylpiperazin-1-yl)phenyl]benzoyl]amino]benzamide
CID 44385561
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-piperazin-1-ylphenyl)benzoyl]amino]benzamide
CID 44385953
1-[3-Chloro-4-(2-ethyl-3-pentan-2-ylimidazo[4,5-b]pyridin-7-yl)phenyl]ethanone
CID 44458832

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone?
The IUPAC name of 1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone (CID 22710742) is 1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone.
What is the SMILES notation for 1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone?
The canonical SMILES for 1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone is CC(=O)n1c(N2CCN(C(=O)c3ccc(-c4ccnc(C)c4)cc3)CC2)cc2cc(Cl)ccc21.
What is the InChIKey of 1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone?
The InChIKey is ZDCFYUUGOLDDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c1-18-15-22(9-10-29-18)20-3-5-21(6-4-20)27(34)31-13-11-30(12-14-31)26-17-23-16-24(28)7-8-25(23)32(26)19(2)33/h3-10,15-17H,11-14H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone?
1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone has a molecular weight of 472.98 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[4-[4-(2-methyl-4-pyridinyl)benzoyl]piperazin-1-yl]indol-1-yl]ethanone is sourced from PubChem (CID 22710742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).