6-(cyclopropanecarbonylamino)-4-[[3-[1-(6-ethylsulfonylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide

C33H36N10O5S — CID 177347713

About 6-(cyclopropanecarbonylamino)-4-[[3-[1-(6-ethylsulfonylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[[3-[1-(6-ethylsulfonylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 177347713) has the molecular formula C33H36N10O5S and a molecular weight of 684.78 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[[3-[1-(6-ethylsulfonylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-4-[[3-[1-(6-ethylsulfonylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide
• PubChem CID: 177347713
• Molecular Formula: C33H36N10O5S
• Molecular Weight: 684.78 g/mol
• Exact Mass: 684.26
• IUPAC Name: 6-(cyclopropanecarbonylamino)-4-[[3-[1-(6-ethylsulfonylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide
• SMILES: CCS(=O)(=O)c1cccc(C(=O)N2CC(n3ncc4c3C(C)N(C)c3c(Nc5cc(NC(=O)C6CC6)nnc5C(=O)NC)cccc3-4)C2)n1
• InChI: InChI=1S/C33H36N10O5S/c1-5-49(47,48)27-11-7-10-24(37-27)33(46)42-16-20(17-42)43-29-18(2)41(4)30-21(22(29)15-35-43)8-6-9-23(30)36-25-14-26(38-31(44)19-12-13-19)39-40-28(25)32(45)34-3/h6-11,14-15,18-20H,5,12-13,16-17H2,1-4H3,(H,34,45)(H2,36,38,39,44)
• InChIKey: VOYMHNITQFNREM-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 184.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.78
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[[3-[1-(6-ethylsulfonylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide (CID 177347713) is 6-(cyclopropanecarbonylamino)-4-[[3-[1-(6-ethylsulfonylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide.

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

The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[[3-[1-(6-ethylsulfonylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide is CCS(=O)(=O)c1cccc(C(=O)N2CC(n3ncc4c3C(C)N(C)c3c(Nc5cc(NC(=O)C6CC6)nnc5C(=O)NC)cccc3-4)C2)n1.

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

The InChIKey is VOYMHNITQFNREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N10O5S/c1-5-49(47,48)27-11-7-10-24(37-27)33(46)42-16-20(17-42)43-29-18(2)41(4)30-21(22(29)15-35-43)8-6-9-23(30)36-25-14-26(38-31(44)19-12-13-19)39-40-28(25)32(45)34-3/h6-11,14-15,18-20H,5,12-13,16-17H2,1-4H3,(H,34,45)(H2,36,38,39,44).

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

6-(cyclopropanecarbonylamino)-4-[[3-[1-(6-ethylsulfonylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 684.78 g/mol, XLogP of 3.19, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-4-[[3-[1-(6-ethylsulfonylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 177347713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).