1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone

C19H22N6O — CID 118790910

IUPAC1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone
SMILESCCc1cc(N2CCN(C(=O)Cc3[nH]nc4ccccc34)CC2)ncn1
InChIInChI=1S/C19H22N6O/c1-2-14-11-18(21-13-20-14)24-7-9-25(10-8-24)19(26)12-17-15-5-3-4-6-16(15)22-23-17/h3-6,11,13H,2,7-10,12H2,1H3,(H,22,23)
InChIKeyIEJMSUQBNSXNEA-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.81
Rot. Bonds4

About 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone

1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone (PubChem CID 118790910) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone
PubChem CID118790910
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone
SMILESCCc1cc(N2CCN(C(=O)Cc3[nH]nc4ccccc34)CC2)ncn1
InChIInChI=1S/C19H22N6O/c1-2-14-11-18(21-13-20-14)24-7-9-25(10-8-24)19(26)12-17-15-5-3-4-6-16(15)22-23-17/h3-6,11,13H,2,7-10,12H2,1H3,(H,22,23)
InChIKeyIEJMSUQBNSXNEA-UHFFFAOYSA-N
XLogP1.81
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone with MolForge

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Related Compounds

2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402326
1-[2-(2H-indazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166712
1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone
CID 91764065
1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone
CID 119375250
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 119646692
3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166259361
8-[2-(2H-indazol-3-yl)acetyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 127419534
2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50979999
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 133265851
2-(2-methylphenyl)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 133300459
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
CID 119623896

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone?
The IUPAC name of 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone (CID 118790910) is 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone?
The canonical SMILES for 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone is CCc1cc(N2CCN(C(=O)Cc3[nH]nc4ccccc34)CC2)ncn1.
What is the InChIKey of 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone?
The InChIKey is IEJMSUQBNSXNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-14-11-18(21-13-20-14)24-7-9-25(10-8-24)19(26)12-17-15-5-3-4-6-16(15)22-23-17/h3-6,11,13H,2,7-10,12H2,1H3,(H,22,23).
What are the key properties of 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone?
1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone has a molecular weight of 350.43 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone is sourced from PubChem (CID 118790910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).