2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone

C24H24N6O — CID 110265205

IUPAC2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCc1cc2ccccc2n1CC(=O)N1CCCC1c1cccc(Nc2cnccn2)n1
InChIInChI=1S/C24H24N6O/c1-17-14-18-6-2-3-8-20(18)30(17)16-24(31)29-13-5-9-21(29)19-7-4-10-22(27-19)28-23-15-25-11-12-26-23/h2-4,6-8,10-12,14-15,21H,5,9,13,16H2,1H3,(H,26,27,28)
InChIKeyZLKGJPZEHXHTQM-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.24
Rot. Bonds5

About 2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone

2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 110265205) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID110265205
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCc1cc2ccccc2n1CC(=O)N1CCCC1c1cccc(Nc2cnccn2)n1
InChIInChI=1S/C24H24N6O/c1-17-14-18-6-2-3-8-20(18)30(17)16-24(31)29-13-5-9-21(29)19-7-4-10-22(27-19)28-23-15-25-11-12-26-23/h2-4,6-8,10-12,14-15,21H,5,9,13,16H2,1H3,(H,26,27,28)
InChIKeyZLKGJPZEHXHTQM-UHFFFAOYSA-N
XLogP4.24
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-1-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835385
3-(1,3-benzothiazol-2-yl)-1-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95835310
2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255904
2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 42024048
2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093931
3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110270558
2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837637
N-benzyl-N-propan-2-yl-2-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95835450
2-methoxy-1-[(2S)-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835160
2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95842802
1-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95835184
4,6-dimethyl-1-[3-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]pyrimidin-2-one
CID 110265230

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 110265205) is 2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone is Cc1cc2ccccc2n1CC(=O)N1CCCC1c1cccc(Nc2cnccn2)n1.
What is the InChIKey of 2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is ZLKGJPZEHXHTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-17-14-18-6-2-3-8-20(18)30(17)16-24(31)29-13-5-9-21(29)19-7-4-10-22(27-19)28-23-15-25-11-12-26-23/h2-4,6-8,10-12,14-15,21H,5,9,13,16H2,1H3,(H,26,27,28).
What are the key properties of 2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 412.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110265205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).