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

C28H40N8 — CID 134342172

IUPAC1,3,5-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
SMILESCc1nc(N2CCc3c(c(C)nn3CC34CCC(N5CCCC5)(CC3)CC4)C2)c2c(n1)c(C)nn2C
InChIInChI=1S/C28H40N8/c1-19-22-17-34(26-25-24(29-21(3)30-26)20(2)31-33(25)4)16-7-23(22)36(32-19)18-27-8-11-28(12-9-27,13-10-27)35-14-5-6-15-35/h5-18H2,1-4H3
InChIKeyGWYTYVPEELRELI-UHFFFAOYSA-N
MW488.68 g/mol
LogP4.24
Rot. Bonds4

About 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

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 (PubChem CID 134342172) has the molecular formula C28H40N8 and a molecular weight of 488.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3,5-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
PubChem CID134342172
Molecular FormulaC28H40N8
Molecular Weight488.68 g/mol
Exact Mass488.34
IUPAC Name1,3,5-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
SMILESCc1nc(N2CCc3c(c(C)nn3CC34CCC(N5CCCC5)(CC3)CC4)C2)c2c(n1)c(C)nn2C
InChIInChI=1S/C28H40N8/c1-19-22-17-34(26-25-24(29-21(3)30-26)20(2)31-33(25)4)16-7-23(22)36(32-19)18-27-8-11-28(12-9-27,13-10-27)35-14-5-6-15-35/h5-18H2,1-4H3
InChIKeyGWYTYVPEELRELI-UHFFFAOYSA-N
XLogP4.24
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.68
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(N2CCc3c(c(C)nn3CC34CCC(N5CCCC5)(CC3)CC4)C2)c2c(n1)c(C)nn2C.
What is the InChIKey of 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?
The InChIKey is GWYTYVPEELRELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N8/c1-19-22-17-34(26-25-24(29-21(3)30-26)20(2)31-33(25)4)16-7-23(22)36(32-19)18-27-8-11-28(12-9-27,13-10-27)35-14-5-6-15-35/h5-18H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 488.68 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134342172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).