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

C21H24N6O2 — CID 146392251

IUPACmethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(N3CC4CC4C3)nc2C)nc1-c1cnn(C)c1
InChIInChI=1S/C21H24N6O2/c1-13-14(4-5-19(23-13)26-9-15-6-16(15)10-26)11-27-12-18(21(28)29-3)20(24-27)17-7-22-25(2)8-17/h4-5,7-8,12,15-16H,6,9-11H2,1-3H3
InChIKeyOUURUCOZMGSYRK-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.28
Rot. Bonds5

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

methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate (PubChem CID 146392251) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate
PubChem CID146392251
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Namemethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(N3CC4CC4C3)nc2C)nc1-c1cnn(C)c1
InChIInChI=1S/C21H24N6O2/c1-13-14(4-5-19(23-13)26-9-15-6-16(15)10-26)11-27-12-18(21(28)29-3)20(24-27)17-7-22-25(2)8-17/h4-5,7-8,12,15-16H,6,9-11H2,1-3H3
InChIKeyOUURUCOZMGSYRK-UHFFFAOYSA-N
XLogP2.28
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 146392355
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-bromopyrazole-4-carboxylate
CID 146371954
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxamide
CID 142458428
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid
CID 156826427
2-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]triazole-4-carboxylic acid
CID 146371843
[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methoxypyrazole-4-carboxylate
CID 158489757
methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 165179349
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-formyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156825859
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide
CID 161125921
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156826518
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 153453467
1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-methyl-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxylic acid
CID 146392240

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate?
The IUPAC name of methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate (CID 146392251) is methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate is COC(=O)c1cn(Cc2ccc(N3CC4CC4C3)nc2C)nc1-c1cnn(C)c1.
What is the InChIKey of methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate?
The InChIKey is OUURUCOZMGSYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13-14(4-5-19(23-13)26-9-15-6-16(15)10-26)11-27-12-18(21(28)29-3)20(24-27)17-7-22-25(2)8-17/h4-5,7-8,12,15-16H,6,9-11H2,1-3H3.
What are the key properties of methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate?
methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 146392251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).