4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine

C28H35N7O2 — CID 163844753

About 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine (PubChem CID 163844753) has the molecular formula C28H35N7O2 and a molecular weight of 501.64 g/mol. Its IUPAC name is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine
• PubChem CID: 163844753
• Molecular Formula: C28H35N7O2
• Molecular Weight: 501.64 g/mol
• Exact Mass: 501.29
• IUPAC Name: 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine
• SMILES: Cc1cnc(NC2CCC(C)CC2)nc1-c1nn(C2CCCCO2)c2nc(-c3c(C)noc3C)ccc12
• InChI: InChI=1S/C28H35N7O2/c1-16-8-10-20(11-9-16)30-28-29-15-17(2)25(32-28)26-21-12-13-22(24-18(3)34-37-19(24)4)31-27(21)35(33-26)23-7-5-6-14-36-23/h12-13,15-16,20,23H,5-11,14H2,1-4H3,(H,29,30,32)
• InChIKey: JLEYRJFKEBRYKI-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 103.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.64
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine?

The IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine (CID 163844753) is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine.

What is the SMILES notation for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine?

The canonical SMILES for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine is Cc1cnc(NC2CCC(C)CC2)nc1-c1nn(C2CCCCO2)c2nc(-c3c(C)noc3C)ccc12.

What is the InChIKey of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine?

The InChIKey is JLEYRJFKEBRYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O2/c1-16-8-10-20(11-9-16)30-28-29-15-17(2)25(32-28)26-21-12-13-22(24-18(3)34-37-19(24)4)31-27(21)35(33-26)23-7-5-6-14-36-23/h12-13,15-16,20,23H,5-11,14H2,1-4H3,(H,29,30,32).

What are the key properties of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine?

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine has a molecular weight of 501.64 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine is sourced from PubChem (CID 163844753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).