1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone

C19H22N6O — CID 90781871

IUPAC1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Nc2nccc(-c3cn(C)c4ccccc34)n2)CC1
InChIInChI=1S/C19H22N6O/c1-14(26)24-9-11-25(12-10-24)22-19-20-8-7-17(21-19)16-13-23(2)18-6-4-3-5-15(16)18/h3-8,13H,9-12H2,1-2H3,(H,20,21,22)
InChIKeyQVAKABUMDKBCJR-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.13
Rot. Bonds3

About 1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone

1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone (PubChem CID 90781871) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone
PubChem CID90781871
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Nc2nccc(-c3cn(C)c4ccccc34)n2)CC1
InChIInChI=1S/C19H22N6O/c1-14(26)24-9-11-25(12-10-24)22-19-20-8-7-17(21-19)16-13-23(2)18-6-4-3-5-15(16)18/h3-8,13H,9-12H2,1-2H3,(H,20,21,22)
InChIKeyQVAKABUMDKBCJR-UHFFFAOYSA-N
XLogP2.13
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine
CID 154464004
4-(1-methylindol-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 175832958
5-methoxy-4-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine
CID 129143628
N-[6-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-piperidin-1-yl-3-pyridinyl]prop-2-enamide
CID 141477762
N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[(1-methylpyrrolidin-3-yl)amino]phenyl]prop-2-enamide
CID 174839946
N-[2-[3-(azetidin-1-yl)azetidin-1-yl]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 130412658
5-methylpyrrolo[2,3-c]quinoline
CID 46228107
N-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide
CID 163288434
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid
CID 82304798
N-[1-[2-(dimethylamino)ethyl]-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]indazol-7-yl]-3-methylbut-2-enamide
CID 163288421
N-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 118912901

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone (CID 90781871) is 1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone is CC(=O)N1CCN(Nc2nccc(-c3cn(C)c4ccccc34)n2)CC1.
What is the InChIKey of 1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone?
The InChIKey is QVAKABUMDKBCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14(26)24-9-11-25(12-10-24)22-19-20-8-7-17(21-19)16-13-23(2)18-6-4-3-5-15(16)18/h3-8,13H,9-12H2,1-2H3,(H,20,21,22).
What are the key properties of 1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone?
1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone has a molecular weight of 350.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]piperazin-1-yl]ethanone is sourced from PubChem (CID 90781871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).