ethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate

C19H23FN4O2 — CID 142458440

IUPACethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2ccc(N3CC4C(C3)C4(C)F)nc2C)c1
InChIInChI=1S/C19H23FN4O2/c1-4-26-18(25)14-7-21-24(9-14)8-13-5-6-17(22-12(13)2)23-10-15-16(11-23)19(15,3)20/h5-7,9,15-16H,4,8,10-11H2,1-3H3
InChIKeyRQJLKFPEPZZBSR-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.61
Rot. Bonds5

About ethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate

ethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate (PubChem CID 142458440) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is ethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
PubChem CID142458440
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Nameethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2ccc(N3CC4C(C3)C4(C)F)nc2C)c1
InChIInChI=1S/C19H23FN4O2/c1-4-26-18(25)14-7-21-24(9-14)8-13-5-6-17(22-12(13)2)23-10-15-16(11-23)19(15,3)20/h5-7,9,15-16H,4,8,10-11H2,1-3H3
InChIKeyRQJLKFPEPZZBSR-UHFFFAOYSA-N
XLogP2.61
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 5-amino-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylate
CID 722162
ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate
CID 742041
Ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 822828
ethyl 4-{[4-(dimethylamino)phenyl]amino}-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate
CID 662147
Ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(phenethylamino)pyrimidine-5-carboxylate
CID 663159
Ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methylanilino)pyrimidine-5-carboxylate
CID 1891364
Ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(1-phenylethylamino)pyrimidine-5-carboxylate
CID 663060
US9981944, Example 130
CID 122478522
US11208400, Example 438
CID 142754050
Ethyl 4-(benzylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 662954
ethyl 5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 1259796
ethyl 1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylate
CID 2765903

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate (CID 142458440) is ethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(Cc2ccc(N3CC4C(C3)C4(C)F)nc2C)c1.
What is the InChIKey of ethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The InChIKey is RQJLKFPEPZZBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-4-26-18(25)14-7-21-24(9-14)8-13-5-6-17(22-12(13)2)23-10-15-16(11-23)19(15,3)20/h5-7,9,15-16H,4,8,10-11H2,1-3H3.
What are the key properties of ethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?
ethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 142458440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).