(1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone

C20H27FN6O — CID 146098946

IUPAC(1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC(C3CCCCN3c3ncc(F)cn3)C2)n1
InChIInChI=1S/C20H27FN6O/c1-2-26-11-8-17(24-26)19(28)25-9-5-6-15(14-25)18-7-3-4-10-27(18)20-22-12-16(21)13-23-20/h8,11-13,15,18H,2-7,9-10,14H2,1H3
InChIKeyMZQWPSSIJDGHNP-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.74
Rot. Bonds4

About (1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone (PubChem CID 146098946) has the molecular formula C20H27FN6O and a molecular weight of 386.48 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone
PubChem CID146098946
Molecular FormulaC20H27FN6O
Molecular Weight386.48 g/mol
Exact Mass386.22
IUPAC Name(1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC(C3CCCCN3c3ncc(F)cn3)C2)n1
InChIInChI=1S/C20H27FN6O/c1-2-26-11-8-17(24-26)19(28)25-9-5-6-15(14-25)18-7-3-4-10-27(18)20-22-12-16(21)13-23-20/h8,11-13,15,18H,2-7,9-10,14H2,1H3
InChIKeyMZQWPSSIJDGHNP-UHFFFAOYSA-N
XLogP2.74
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone (CID 146098946) is (1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone is CCn1ccc(C(=O)N2CCCC(C3CCCCN3c3ncc(F)cn3)C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is MZQWPSSIJDGHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6O/c1-2-26-11-8-17(24-26)19(28)25-9-5-6-15(14-25)18-7-3-4-10-27(18)20-22-12-16(21)13-23-20/h8,11-13,15,18H,2-7,9-10,14H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 386.48 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[3-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 146098946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).