1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone

C19H22N6O — CID 91764065

IUPAC1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone
SMILESCCc1cc(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)ncn1
InChIInChI=1S/C19H22N6O/c1-2-16-11-18(21-14-20-16)23-7-9-24(10-8-23)19(26)13-25-17-6-4-3-5-15(17)12-22-25/h3-6,11-12,14H,2,7-10,13H2,1H3
InChIKeyYKPNSKUXFSBMHI-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.74
Rot. Bonds4

About 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone

1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone (PubChem CID 91764065) 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-indazol-1-ylethanone.

Molecular Properties

Compound Name1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone
PubChem CID91764065
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone
SMILESCCc1cc(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)ncn1
InChIInChI=1S/C19H22N6O/c1-2-16-11-18(21-14-20-16)23-7-9-24(10-8-23)19(26)13-25-17-6-4-3-5-15(17)12-22-25/h3-6,11-12,14H,2,7-10,13H2,1H3
InChIKeyYKPNSKUXFSBMHI-UHFFFAOYSA-N
XLogP1.74
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 118790910
[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97443810
[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 72892433
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
CID 111562018
1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 91785161
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 102553180
2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone
CID 99938258
2,5-dihydro-1H-pyrrol-2-yl-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 154911487
[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 125443911
1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone
CID 97216054
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide
CID 154803218

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone?
The IUPAC name of 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone (CID 91764065) is 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone.
What is the SMILES notation for 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone?
The canonical SMILES for 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone is CCc1cc(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)ncn1.
What is the InChIKey of 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone?
The InChIKey is YKPNSKUXFSBMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-16-11-18(21-14-20-16)23-7-9-24(10-8-23)19(26)13-25-17-6-4-3-5-15(17)12-22-25/h3-6,11-12,14H,2,7-10,13H2,1H3.
What are the key properties of 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone?
1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone has a molecular weight of 350.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone is sourced from PubChem (CID 91764065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).