1,6-dimethyl-4-[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[3,4-b]pyridine

C28H39N7 — CID 134330524

About 1,6-dimethyl-4-[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[3,4-b]pyridine

1,6-dimethyl-4-[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[3,4-b]pyridine (PubChem CID 134330524) has the molecular formula C28H39N7 and a molecular weight of 473.67 g/mol. Its IUPAC name is 1,6-dimethyl-4-[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[3,4-b]pyridine.

Molecular Properties

• Compound Name: 1,6-dimethyl-4-[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[3,4-b]pyridine
• PubChem CID: 134330524
• Molecular Formula: C28H39N7
• Molecular Weight: 473.67 g/mol
• Exact Mass: 473.33
• IUPAC Name: 1,6-dimethyl-4-[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[3,4-b]pyridine
• SMILES: Cc1cc(N2CCc3c(c(C)nn3CC34CCC(N5CCCC5)(CC3)CC4)C2)c2cnn(C)c2n1
• InChI: InChI=1S/C28H39N7/c1-20-16-25(22-17-29-32(3)26(22)30-20)33-15-6-24-23(18-33)21(2)31-35(24)19-27-7-10-28(11-8-27,12-9-27)34-13-4-5-14-34/h16-17H,4-15,18-19H2,1-3H3
• InChIKey: WRMAEJQLGNASMS-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 55.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.67
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[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[3,4-b]pyridine?

The IUPAC name of 1,6-dimethyl-4-[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[3,4-b]pyridine (CID 134330524) is 1,6-dimethyl-4-[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[3,4-b]pyridine.

What is the SMILES notation for 1,6-dimethyl-4-[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[3,4-b]pyridine?

The canonical SMILES for 1,6-dimethyl-4-[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[3,4-b]pyridine is Cc1cc(N2CCc3c(c(C)nn3CC34CCC(N5CCCC5)(CC3)CC4)C2)c2cnn(C)c2n1.

What is the InChIKey of 1,6-dimethyl-4-[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[3,4-b]pyridine?

The InChIKey is WRMAEJQLGNASMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N7/c1-20-16-25(22-17-29-32(3)26(22)30-20)33-15-6-24-23(18-33)21(2)31-35(24)19-27-7-10-28(11-8-27,12-9-27)34-13-4-5-14-34/h16-17H,4-15,18-19H2,1-3H3.

What are the key properties of 1,6-dimethyl-4-[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[3,4-b]pyridine?

1,6-dimethyl-4-[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[3,4-b]pyridine has a molecular weight of 473.67 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,6-dimethyl-4-[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[3,4-b]pyridine is sourced from PubChem (CID 134330524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).