1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone

C20H24N6O — CID 166632629

IUPAC1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cccc3cnc(Nc4cnn(C)c4)nc23)CC1
InChIInChI=1S/C20H24N6O/c1-14(27)26-8-6-15(7-9-26)10-16-4-3-5-17-11-21-20(24-19(16)17)23-18-12-22-25(2)13-18/h3-5,11-13,15H,6-10H2,1-2H3,(H,21,23,24)
InChIKeyJKWFMMCFOXZUIX-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.91
Rot. Bonds4

About 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone

1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 166632629) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone
PubChem CID166632629
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cccc3cnc(Nc4cnn(C)c4)nc23)CC1
InChIInChI=1S/C20H24N6O/c1-14(27)26-8-6-15(7-9-26)10-16-4-3-5-17-11-21-20(24-19(16)17)23-18-12-22-25(2)13-18/h3-5,11-13,15H,6-10H2,1-2H3,(H,21,23,24)
InChIKeyJKWFMMCFOXZUIX-UHFFFAOYSA-N
XLogP2.91
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone (CID 166632629) is 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cccc3cnc(Nc4cnn(C)c4)nc23)CC1.
What is the InChIKey of 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is JKWFMMCFOXZUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14(27)26-8-6-15(7-9-26)10-16-4-3-5-17-11-21-20(24-19(16)17)23-18-12-22-25(2)13-18/h3-5,11-13,15H,6-10H2,1-2H3,(H,21,23,24).
What are the key properties of 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone?
1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 364.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166632629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).