methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate

C18H20F2N4O2 — CID 146392225

IUPACmethyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C)nc1C
InChIInChI=1S/C18H20F2N4O2/c1-10-12(6-24-7-13(11(2)22-24)17(25)26-3)4-5-16(21-10)23-8-14-15(9-23)18(14,19)20/h4-5,7,14-15H,6,8-9H2,1-3H3
InChIKeyWUPXHCSIIHWOCN-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.43
Rot. Bonds4

About methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate

methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate (PubChem CID 146392225) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate
PubChem CID146392225
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC Namemethyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C)nc1C
InChIInChI=1S/C18H20F2N4O2/c1-10-12(6-24-7-13(11(2)22-24)17(25)26-3)4-5-16(21-10)23-8-14-15(9-23)18(14,19)20/h4-5,7,14-15H,6,8-9H2,1-3H3
InChIKeyWUPXHCSIIHWOCN-UHFFFAOYSA-N
XLogP2.43
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-(2-Pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 16787723
Methyl 3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylate
CID 9550534
Ethyl 5-methyl-2-(3-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 17079438
5-(propan-2-yl)-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 25312759
methyl 1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylate
CID 16011760
Ethyl 1-[4-(1-pyridin-2-yltriazol-4-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 139532537
Ethyl 1-[6-[[2-(2,2-difluoroethyl)-4-ethyl-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 134440028
Ethyl 1-[6-[[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 134440090
Ethyl 1-[6-[[1-(cyclopropylmethyl)-4-ethyl-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 134440244
Ethyl 1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 134440292
Ethyl 1-[6-[[1-(cyclopropylmethyl)-3-(2,4-difluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 134440548
Ethyl 1-[6-[[2-(cyclopropylmethyl)-5-[4-(difluoromethyl)phenyl]-4-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 134440573

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate?
The IUPAC name of methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate (CID 146392225) is methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate?
The canonical SMILES for methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate is COC(=O)c1cn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C)nc1C.
What is the InChIKey of methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate?
The InChIKey is WUPXHCSIIHWOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c1-10-12(6-24-7-13(11(2)22-24)17(25)26-3)4-5-16(21-10)23-8-14-15(9-23)18(14,19)20/h4-5,7,14-15H,6,8-9H2,1-3H3.
What are the key properties of methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate?
methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate has a molecular weight of 362.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylate is sourced from PubChem (CID 146392225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).