6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide

C40H48N14O2 — CID 177346999

About 6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide

6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 177346999) has the molecular formula C40H48N14O2 and a molecular weight of 756.92 g/mol. Its IUPAC name is 6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide
• PubChem CID: 177346999
• Molecular Formula: C40H48N14O2
• Molecular Weight: 756.92 g/mol
• Exact Mass: 756.41
• IUPAC Name: 6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide
• SMILES: CNC(=O)c1nnc(Nc2cc(C)nc(CN(C)C)n2)cc1Nc1cccc2c1N(C)C(C)c1c-2cnn1C1CN(Cc2cccc(C(=O)N3CCCC3)n2)C1
• InChI: InChI=1S/C40H48N14O2/c1-24-17-33(47-35(43-24)23-50(4)5)46-34-18-32(36(49-48-34)39(55)41-3)45-30-13-10-12-28-29-19-42-54(37(29)25(2)51(6)38(28)30)27-21-52(22-27)20-26-11-9-14-31(44-26)40(56)53-15-7-8-16-53/h9-14,17-19,25,27H,7-8,15-16,20-23H2,1-6H3,(H,41,55)(H2,43,45,46,47,48)
• InChIKey: WNICQRBZULDHJB-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 165.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.92
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide?

The IUPAC name of 6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide (CID 177346999) is 6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide.

What is the SMILES notation for 6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide?

The canonical SMILES for 6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2cc(C)nc(CN(C)C)n2)cc1Nc1cccc2c1N(C)C(C)c1c-2cnn1C1CN(Cc2cccc(C(=O)N3CCCC3)n2)C1.

What is the InChIKey of 6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide?

The InChIKey is WNICQRBZULDHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48N14O2/c1-24-17-33(47-35(43-24)23-50(4)5)46-34-18-32(36(49-48-34)39(55)41-3)45-30-13-10-12-28-29-19-42-54(37(29)25(2)51(6)38(28)30)27-21-52(22-27)20-26-11-9-14-31(44-26)40(56)53-15-7-8-16-53/h9-14,17-19,25,27H,7-8,15-16,20-23H2,1-6H3,(H,41,55)(H2,43,45,46,47,48).

What are the key properties of 6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide?

6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 756.92 g/mol, XLogP of 4.55, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 177346999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).