5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine

C28H30N10O — CID 177346911

About 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine

5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 177346911) has the molecular formula C28H30N10O and a molecular weight of 522.62 g/mol. Its IUPAC name is 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

• Compound Name: 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
• PubChem CID: 177346911
• Molecular Formula: C28H30N10O
• Molecular Weight: 522.62 g/mol
• Exact Mass: 522.26
• IUPAC Name: 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
• SMILES: Cc1cc(Nc2cc(Nc3cccc4c3N(C)Cc3c-4cnn3C3CCOCC3)n3nccc3n2)nc(C)n1
• InChI: InChI=1S/C28H30N10O/c1-17-13-24(32-18(2)31-17)34-25-14-27(38-26(35-25)7-10-29-38)33-22-6-4-5-20-21-15-30-37(19-8-11-39-12-9-19)23(21)16-36(3)28(20)22/h4-7,10,13-15,19,33H,8-9,11-12,16H2,1-3H3,(H,31,32,34,35)
• InChIKey: PHWXZRZFSBBQGJ-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 110.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.62
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?

The IUPAC name of 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 177346911) is 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine.

What is the SMILES notation for 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?

The canonical SMILES for 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine is Cc1cc(Nc2cc(Nc3cccc4c3N(C)Cc3c-4cnn3C3CCOCC3)n3nccc3n2)nc(C)n1.

What is the InChIKey of 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?

The InChIKey is PHWXZRZFSBBQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N10O/c1-17-13-24(32-18(2)31-17)34-25-14-27(38-26(35-25)7-10-29-38)33-22-6-4-5-20-21-15-30-37(19-8-11-39-12-9-19)23(21)16-36(3)28(20)22/h4-7,10,13-15,19,33H,8-9,11-12,16H2,1-3H3,(H,31,32,34,35).

What are the key properties of 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine?

5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 522.62 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 177346911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).