2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one

C24H27N7O2 — CID 175559664

IUPAC2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one
SMILESCn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(N5CCC(N)CC5)ccc34)n2)cn1
InChIInChI=1S/C24H27N7O2/c1-29-16-17(15-27-29)21-4-5-24(32)31(28-21)12-13-33-23-6-9-26-22-14-19(2-3-20(22)23)30-10-7-18(25)8-11-30/h2-6,9,14-16,18H,7-8,10-13,25H2,1H3
InChIKeyPZUBGGJUYUQWJB-UHFFFAOYSA-N
MW445.53 g/mol
LogP2.20
Rot. Bonds6

About 2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one

2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one (PubChem CID 175559664) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one
PubChem CID175559664
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one
SMILESCn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(N5CCC(N)CC5)ccc34)n2)cn1
InChIInChI=1S/C24H27N7O2/c1-29-16-17(15-27-29)21-4-5-24(32)31(28-21)12-13-33-23-6-9-26-22-14-19(2-3-20(22)23)30-10-7-18(25)8-11-30/h2-6,9,14-16,18H,7-8,10-13,25H2,1H3
InChIKeyPZUBGGJUYUQWJB-UHFFFAOYSA-N
XLogP2.20
TPSA104.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one?
The IUPAC name of 2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one (CID 175559664) is 2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one is Cn1cc(-c2ccc(=O)n(CCOc3ccnc4cc(N5CCC(N)CC5)ccc34)n2)cn1.
What is the InChIKey of 2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one?
The InChIKey is PZUBGGJUYUQWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-29-16-17(15-27-29)21-4-5-24(32)31(28-21)12-13-33-23-6-9-26-22-14-19(2-3-20(22)23)30-10-7-18(25)8-11-30/h2-6,9,14-16,18H,7-8,10-13,25H2,1H3.
What are the key properties of 2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one?
2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one has a molecular weight of 445.53 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one is sourced from PubChem (CID 175559664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).