6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide

C38H43N13O2 — CID 177348503

About 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide

6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide (PubChem CID 177348503) has the molecular formula C38H43N13O2 and a molecular weight of 713.85 g/mol. Its IUPAC name is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
• PubChem CID: 177348503
• Molecular Formula: C38H43N13O2
• Molecular Weight: 713.85 g/mol
• Exact Mass: 713.37
• IUPAC Name: 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
• SMILES: CNC(=O)c1nnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc2c1N(C)Cc1c-2cnn1C1CCN(Cc2cccc(C(=O)N3CCCC3)n2)C1
• InChI: InChI=1S/C38H43N13O2/c1-23-17-33(42-24(2)41-23)45-34-18-31(35(47-46-34)37(52)39-3)44-29-11-8-10-27-28-19-40-51(32(28)22-48(4)36(27)29)26-13-16-49(21-26)20-25-9-7-12-30(43-25)38(53)50-14-5-6-15-50/h7-12,17-19,26H,5-6,13-16,20-22H2,1-4H3,(H,39,52)(H2,41,42,44,45,46)
• InChIKey: SBGMSJVHRWUOAT-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 162.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.85
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?

The IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide (CID 177348503) is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?

The canonical SMILES for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc2c1N(C)Cc1c-2cnn1C1CCN(Cc2cccc(C(=O)N3CCCC3)n2)C1.

What is the InChIKey of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?

The InChIKey is SBGMSJVHRWUOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N13O2/c1-23-17-33(42-24(2)41-23)45-34-18-31(35(47-46-34)37(52)39-3)44-29-11-8-10-27-28-19-40-51(32(28)22-48(4)36(27)29)26-13-16-49(21-26)20-25-9-7-12-30(43-25)38(53)50-14-5-6-15-50/h7-12,17-19,26H,5-6,13-16,20-22H2,1-4H3,(H,39,52)(H2,41,42,44,45,46).

What are the key properties of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?

6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide has a molecular weight of 713.85 g/mol, XLogP of 4.62, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 177348503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).