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

C16H16F2N4O2 — CID 129078741

IUPACmethyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2)c1
InChIInChI=1S/C16H16F2N4O2/c1-24-15(23)11-5-20-22(7-11)6-10-2-3-14(19-4-10)21-8-12-13(9-21)16(12,17)18/h2-5,7,12-13H,6,8-9H2,1H3
InChIKeyPAYIHILEQMCVNT-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.81
Rot. Bonds4

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

methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate (PubChem CID 129078741) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate
PubChem CID129078741
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Namemethyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2)c1
InChIInChI=1S/C16H16F2N4O2/c1-24-15(23)11-5-20-22(7-11)6-10-2-3-14(19-4-10)21-8-12-13(9-21)16(12,17)18/h2-5,7,12-13H,6,8-9H2,1H3
InChIKeyPAYIHILEQMCVNT-UHFFFAOYSA-N
XLogP1.81
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazole-4-carboxylic acid
CID 156826184
[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol
CID 156826031
1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 129097296
methyl 1-[(4-bromophenyl)methyl]pyrazole-4-carboxylate
CID 154827636
(2,2,2-trifluoroacetyl) 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 162467044
methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 165179349
ethyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-formyl-3-pyridinyl]methyl]pyrazole-4-carboxylate;ethyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 159229844
1-[[6-[(3S)-3-methyl-4-[[1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carbonyl]oxymethyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 129103393
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 156826287
lithium 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 162326679
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dimethyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 156825987
methyl 4-[[4-(ethylcarbamoyl)pyrazol-1-yl]methyl]benzoate
CID 69189191

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The IUPAC name of methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate (CID 129078741) is methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate is COC(=O)c1cnn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2)c1.
What is the InChIKey of methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The InChIKey is PAYIHILEQMCVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c1-24-15(23)11-5-20-22(7-11)6-10-2-3-14(19-4-10)21-8-12-13(9-21)16(12,17)18/h2-5,7,12-13H,6,8-9H2,1H3.
What are the key properties of methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate?
methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate has a molecular weight of 334.33 g/mol, XLogP of 1.81, 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)-3-pyridinyl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 129078741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).