4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine

C30H32Cl2N8O4 — CID 130178701

IUPAC4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine
SMILESCOc1ncc(-c2cc(Cl)c(C)nn2)cc1N1CCOC(COc2ncc(-c3cc(Cl)nnc3C)cc2N2CCOCC2)C1
InChIInChI=1S/C30H32Cl2N8O4/c1-18-23(12-28(32)38-35-18)20-10-27(39-4-7-42-8-5-39)30(34-14-20)44-17-22-16-40(6-9-43-22)26-11-21(15-33-29(26)41-3)25-13-24(31)19(2)36-37-25/h10-15,22H,4-9,16-17H2,1-3H3
InChIKeyQCVFKVMBRHHTBG-UHFFFAOYSA-N
MW639.54 g/mol
LogP4.44
Rot. Bonds8

About 4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine

4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine (PubChem CID 130178701) has the molecular formula C30H32Cl2N8O4 and a molecular weight of 639.54 g/mol. Its IUPAC name is 4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine.

Molecular Properties

Compound Name4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine
PubChem CID130178701
Molecular FormulaC30H32Cl2N8O4
Molecular Weight639.54 g/mol
Exact Mass638.19
IUPAC Name4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine
SMILESCOc1ncc(-c2cc(Cl)c(C)nn2)cc1N1CCOC(COc2ncc(-c3cc(Cl)nnc3C)cc2N2CCOCC2)C1
InChIInChI=1S/C30H32Cl2N8O4/c1-18-23(12-28(32)38-35-18)20-10-27(39-4-7-42-8-5-39)30(34-14-20)44-17-22-16-40(6-9-43-22)26-11-21(15-33-29(26)41-3)25-13-24(31)19(2)36-37-25/h10-15,22H,4-9,16-17H2,1-3H3
InChIKeyQCVFKVMBRHHTBG-UHFFFAOYSA-N
XLogP4.44
TPSA120.74 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine?
The IUPAC name of 4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine (CID 130178701) is 4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine.
What is the SMILES notation for 4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine?
The canonical SMILES for 4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine is COc1ncc(-c2cc(Cl)c(C)nn2)cc1N1CCOC(COc2ncc(-c3cc(Cl)nnc3C)cc2N2CCOCC2)C1.
What is the InChIKey of 4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine?
The InChIKey is QCVFKVMBRHHTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N8O4/c1-18-23(12-28(32)38-35-18)20-10-27(39-4-7-42-8-5-39)30(34-14-20)44-17-22-16-40(6-9-43-22)26-11-21(15-33-29(26)41-3)25-13-24(31)19(2)36-37-25/h10-15,22H,4-9,16-17H2,1-3H3.
What are the key properties of 4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine?
4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine has a molecular weight of 639.54 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-chloro-6-methylpyridazin-3-yl)-2-methoxy-3-pyridinyl]-2-[[5-(6-chloro-3-methylpyridazin-4-yl)-3-morpholin-4-yl-2-pyridinyl]oxymethyl]morpholine is sourced from PubChem (CID 130178701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).