4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine

C27H39N7O — CID 134330562

IUPAC4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine
SMILESCOCCNC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2
InChIInChI=1S/C27H39N7O/c1-19-15-24(21-16-29-32(3)25(21)30-19)33-13-5-23-22(17-33)20(2)31-34(23)18-26-6-9-27(10-7-26,11-8-26)28-12-14-35-4/h15-16,28H,5-14,17-18H2,1-4H3
InChIKeyIDCLYTLADAHRHB-UHFFFAOYSA-N
MW477.66 g/mol
LogP3.67
Rot. Bonds7

About 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine

4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine (PubChem CID 134330562) has the molecular formula C27H39N7O and a molecular weight of 477.66 g/mol. Its IUPAC name is 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine
PubChem CID134330562
Molecular FormulaC27H39N7O
Molecular Weight477.66 g/mol
Exact Mass477.32
IUPAC Name4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine
SMILESCOCCNC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2
InChIInChI=1S/C27H39N7O/c1-19-15-24(21-16-29-32(3)25(21)30-19)33-13-5-23-22(17-33)20(2)31-34(23)18-26-6-9-27(10-7-26,11-8-26)28-12-14-35-4/h15-16,28H,5-14,17-18H2,1-4H3
InChIKeyIDCLYTLADAHRHB-UHFFFAOYSA-N
XLogP3.67
TPSA73.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.66
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine?
The IUPAC name of 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine (CID 134330562) is 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine?
The canonical SMILES for 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine is COCCNC12CCC(Cn3nc(C)c4c3CCN(c3cc(C)nc5c3cnn5C)C4)(CC1)CC2.
What is the InChIKey of 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine?
The InChIKey is IDCLYTLADAHRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N7O/c1-19-15-24(21-16-29-32(3)25(21)30-19)33-13-5-23-22(17-33)20(2)31-34(23)18-26-6-9-27(10-7-26,11-8-26)28-12-14-35-4/h15-16,28H,5-14,17-18H2,1-4H3.
What are the key properties of 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine?
4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine has a molecular weight of 477.66 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(2-methoxyethyl)bicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 134330562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).