(1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H22N4O — CID 141181908

IUPAC(1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc2n1C
InChIInChI=1S/C20H22N4O/c1-15-13-17-14-16(6-7-18(17)22(15)2)20(25)24-11-9-23(10-12-24)19-5-3-4-8-21-19/h3-8,13-14H,9-12H2,1-2H3
InChIKeyBGZYLMQGMWWQON-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.84
Rot. Bonds2

About (1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 141181908) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID141181908
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc2n1C
InChIInChI=1S/C20H22N4O/c1-15-13-17-14-16(6-7-18(17)22(15)2)20(25)24-11-9-23(10-12-24)19-5-3-4-8-21-19/h3-8,13-14H,9-12H2,1-2H3
InChIKeyBGZYLMQGMWWQON-UHFFFAOYSA-N
XLogP2.84
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
(1-methylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 7329083
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(4-methyl-3-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 878223
(3-methyl-4-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 806858
(1,5-dimethylpyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44757097
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 131917647
(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53040756
[2-(2,6-dimethylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174568

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 141181908) is (1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1cc2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc2n1C.
What is the InChIKey of (1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BGZYLMQGMWWQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-13-17-14-16(6-7-18(17)22(15)2)20(25)24-11-9-23(10-12-24)19-5-3-4-8-21-19/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of (1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 334.42 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 141181908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).