methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate

C20H22N6O2 — CID 133460200

IUPACmethyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2ccc(-n3nc(C)cc3C)nn2)nc1C1CC1
InChIInChI=1S/C20H22N6O2/c1-12-10-13(2)26(25-12)18-9-8-17(23-24-18)21-11-15-6-7-16(20(27)28-3)19(22-15)14-4-5-14/h6-10,14H,4-5,11H2,1-3H3,(H,21,23)
InChIKeyUZQNZXNDAQOYCR-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.95
Rot. Bonds6

About methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate

methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate (PubChem CID 133460200) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate
PubChem CID133460200
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Namemethyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2ccc(-n3nc(C)cc3C)nn2)nc1C1CC1
InChIInChI=1S/C20H22N6O2/c1-12-10-13(2)26(25-12)18-9-8-17(23-24-18)21-11-15-6-7-16(20(27)28-3)19(22-15)14-4-5-14/h6-10,14H,4-5,11H2,1-3H3,(H,21,23)
InChIKeyUZQNZXNDAQOYCR-UHFFFAOYSA-N
XLogP2.95
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate
CID 133460162
methyl 6-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460213
methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate
CID 133460254
methyl 2-cyclopropyl-6-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridine-3-carboxylate
CID 133460161
methyl 6-[[(8-bromoquinolin-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460234
methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460208
methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate
CID 133460116
methyl 2-cyclopropyl-6-[(2-methyl-6-nitroanilino)methyl]pyridine-3-carboxylate
CID 133460163
methyl 6-[(4-chloro-2-nitroanilino)methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460127
methyl 6-[[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460100
methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate
CID 75475369
6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine
CID 112818323

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate (CID 133460200) is methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CNc2ccc(-n3nc(C)cc3C)nn2)nc1C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate?
The InChIKey is UZQNZXNDAQOYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-12-10-13(2)26(25-12)18-9-8-17(23-24-18)21-11-15-6-7-16(20(27)28-3)19(22-15)14-4-5-14/h6-10,14H,4-5,11H2,1-3H3,(H,21,23).
What are the key properties of methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate?
methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate has a molecular weight of 378.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 133460200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).