methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate

C21H19F2N5O3 — CID 151960591

IUPACmethyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H19F2N5O3/c1-30-21(29)20-17(11-16(26-27-20)19-14(22)3-2-4-15(19)23)25-13-5-6-18(24-12-13)28-7-9-31-10-8-28/h2-6,11-12H,7-10H2,1H3,(H,25,26)
InChIKeyTYOMDLQHCKSVPD-UHFFFAOYSA-N
MW427.41 g/mol
LogP3.18
Rot. Bonds5

About methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate

methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate (PubChem CID 151960591) has the molecular formula C21H19F2N5O3 and a molecular weight of 427.41 g/mol. Its IUPAC name is methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate
PubChem CID151960591
Molecular FormulaC21H19F2N5O3
Molecular Weight427.41 g/mol
Exact Mass427.15
IUPAC Namemethyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H19F2N5O3/c1-30-21(29)20-17(11-16(26-27-20)19-14(22)3-2-4-15(19)23)25-13-5-6-18(24-12-13)28-7-9-31-10-8-28/h2-6,11-12H,7-10H2,1H3,(H,25,26)
InChIKeyTYOMDLQHCKSVPD-UHFFFAOYSA-N
XLogP3.18
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate with MolForge

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Related Compounds

2-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137030175
methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate
CID 152566275
1-(2,6-difluorophenyl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrazole-3-carboxamide
CID 119044296
2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118347794
1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea
CID 6417667
2-(2-methoxy-4-methylphenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 55501091
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 48795694
5-(3-methoxyanilino)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 11538502
6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 174998817
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine
CID 118162915

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate (CID 151960591) is methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate is COC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate?
The InChIKey is TYOMDLQHCKSVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O3/c1-30-21(29)20-17(11-16(26-27-20)19-14(22)3-2-4-15(19)23)25-13-5-6-18(24-12-13)28-7-9-31-10-8-28/h2-6,11-12H,7-10H2,1H3,(H,25,26).
What are the key properties of methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate?
methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate has a molecular weight of 427.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,6-difluorophenyl)-4-[(6-morpholin-4-yl-3-pyridinyl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 151960591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).