2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one

C19H21N5O3 — CID 135153778

IUPAC2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one
SMILESCOc1ccc(OC2CCN(c3nc4cn[nH]c(=O)c4cc3C)CC2)cn1
InChIInChI=1S/C19H21N5O3/c1-12-9-15-16(11-21-23-19(15)25)22-18(12)24-7-5-13(6-8-24)27-14-3-4-17(26-2)20-10-14/h3-4,9-11,13H,5-8H2,1-2H3,(H,23,25)
InChIKeyQUZKCQPDWULNCJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.08
Rot. Bonds4

About 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one

2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 135153778) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one
PubChem CID135153778
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one
SMILESCOc1ccc(OC2CCN(c3nc4cn[nH]c(=O)c4cc3C)CC2)cn1
InChIInChI=1S/C19H21N5O3/c1-12-9-15-16(11-21-23-19(15)25)22-18(12)24-7-5-13(6-8-24)27-14-3-4-17(26-2)20-10-14/h3-4,9-11,13H,5-8H2,1-2H3,(H,23,25)
InChIKeyQUZKCQPDWULNCJ-UHFFFAOYSA-N
XLogP2.08
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one (CID 135153778) is 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one is COc1ccc(OC2CCN(c3nc4cn[nH]c(=O)c4cc3C)CC2)cn1.
What is the InChIKey of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is QUZKCQPDWULNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-9-15-16(11-21-23-19(15)25)22-18(12)24-7-5-13(6-8-24)27-14-3-4-17(26-2)20-10-14/h3-4,9-11,13H,5-8H2,1-2H3,(H,23,25).
What are the key properties of 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one?
2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 367.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 135153778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).