6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one

C22H25N5O3 — CID 144699882

IUPAC6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one
SMILESCOc1ccc([C@@H]2CC2COc2cc(NCc3cccnc3C)c(=O)n(C)n2)nc1
InChIInChI=1S/C22H25N5O3/c1-14-15(5-4-8-23-14)11-24-20-10-21(26-27(2)22(20)28)30-13-16-9-18(16)19-7-6-17(29-3)12-25-19/h4-8,10,12,16,18,24H,9,11,13H2,1-3H3/t16?,18-/m1/s1
InChIKeyPIIDOFUZMWGECB-UHUGOGIASA-N
MW407.47 g/mol
LogP2.68
Rot. Bonds8

About 6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one

6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one (PubChem CID 144699882) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one
PubChem CID144699882
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one
SMILESCOc1ccc([C@@H]2CC2COc2cc(NCc3cccnc3C)c(=O)n(C)n2)nc1
InChIInChI=1S/C22H25N5O3/c1-14-15(5-4-8-23-14)11-24-20-10-21(26-27(2)22(20)28)30-13-16-9-18(16)19-7-6-17(29-3)12-25-19/h4-8,10,12,16,18,24H,9,11,13H2,1-3H3/t16?,18-/m1/s1
InChIKeyPIIDOFUZMWGECB-UHUGOGIASA-N
XLogP2.68
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one?
The IUPAC name of 6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one (CID 144699882) is 6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one?
The canonical SMILES for 6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one is COc1ccc([C@@H]2CC2COc2cc(NCc3cccnc3C)c(=O)n(C)n2)nc1.
What is the InChIKey of 6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one?
The InChIKey is PIIDOFUZMWGECB-UHUGOGIASA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-15(5-4-8-23-14)11-24-20-10-21(26-27(2)22(20)28)30-13-16-9-18(16)19-7-6-17(29-3)12-25-19/h4-8,10,12,16,18,24H,9,11,13H2,1-3H3/t16?,18-/m1/s1.
What are the key properties of 6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one?
6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one has a molecular weight of 407.47 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 144699882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).