4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine

C24H36N8 — CID 166853715

IUPAC4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine
SMILESCc1nc(N2CCC3=C(C2)C(C)NN3CC23CCC(N)(CC2)CC3)c2c(n1)c(C)nn2C
InChIInChI=1S/C24H36N8/c1-15-18-13-31(22-21-20(26-17(3)27-22)16(2)28-30(21)4)12-5-19(18)32(29-15)14-23-6-9-24(25,10-7-23)11-8-23/h15,29H,5-14,25H2,1-4H3
InChIKeyXTAULYZFHNXOOJ-UHFFFAOYSA-N
MW436.61 g/mol
LogP2.70
Rot. Bonds3

About 4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine

4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine (PubChem CID 166853715) has the molecular formula C24H36N8 and a molecular weight of 436.61 g/mol. Its IUPAC name is 4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine
PubChem CID166853715
Molecular FormulaC24H36N8
Molecular Weight436.61 g/mol
Exact Mass436.31
IUPAC Name4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine
SMILESCc1nc(N2CCC3=C(C2)C(C)NN3CC23CCC(N)(CC2)CC3)c2c(n1)c(C)nn2C
InChIInChI=1S/C24H36N8/c1-15-18-13-31(22-21-20(26-17(3)27-22)16(2)28-30(21)4)12-5-19(18)32(29-15)14-23-6-9-24(25,10-7-23)11-8-23/h15,29H,5-14,25H2,1-4H3
InChIKeyXTAULYZFHNXOOJ-UHFFFAOYSA-N
XLogP2.70
TPSA88.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.61
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine 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

N-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 53357334
1,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39893229
N-(2-methoxyethyl)-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine
CID 134330534
4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N-(oxetan-3-ylmethyl)bicyclo[2.2.2]octan-1-amine
CID 134330540
4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-N,N-bis(trideuteriomethyl)bicyclo[2.2.2]octan-1-amine
CID 134330541
6-[4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]-2-oxa-6-azaspiro[3.3]heptane
CID 134330551
4-[4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine
CID 134330575
[4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 134330618
4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine
CID 134330633
N-cyclobutyl-4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine
CID 134331788
1,3,5-trimethyl-7-[3-methyl-1-[(4-pyrrolidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyrazolo[4,5-d]pyrimidine
CID 134342172
[3-[[[4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]amino]methyl]oxetan-3-yl]methanol
CID 134342273

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine?
The IUPAC name of 4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine (CID 166853715) is 4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for 4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine?
The canonical SMILES for 4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine is Cc1nc(N2CCC3=C(C2)C(C)NN3CC23CCC(N)(CC2)CC3)c2c(n1)c(C)nn2C.
What is the InChIKey of 4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine?
The InChIKey is XTAULYZFHNXOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N8/c1-15-18-13-31(22-21-20(26-17(3)27-22)16(2)28-30(21)4)12-5-19(18)32(29-15)14-23-6-9-24(25,10-7-23)11-8-23/h15,29H,5-14,25H2,1-4H3.
What are the key properties of 4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine?
4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine has a molecular weight of 436.61 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methyl-5-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)-3,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 166853715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).