6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide

C37H41N11O4 — CID 177346960

About 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide (PubChem CID 177346960) has the molecular formula C37H41N11O4 and a molecular weight of 703.81 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
• PubChem CID: 177346960
• Molecular Formula: C37H41N11O4
• Molecular Weight: 703.81 g/mol
• Exact Mass: 703.33
• IUPAC Name: 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
• SMILES: CC[C@H]1c2c(cnn2C2CN(C(=O)c3cccc(C(=O)N(C)C)n3)C2)-c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(=O)NC3CC3)c2N1C
• InChI: InChI=1S/C37H41N11O4/c1-5-29-33-24(17-38-48(33)22-18-47(19-22)37(52)27-11-7-10-26(41-27)36(51)45(2)3)23-8-6-9-25(32(23)46(29)4)40-28-16-30(42-34(49)20-12-13-20)43-44-31(28)35(50)39-21-14-15-21/h6-11,16-17,20-22,29H,5,12-15,18-19H2,1-4H3,(H,39,50)(H2,40,42,43,49)/t29-/m0/s1
• InChIKey: WLXFAYJSZQXEDF-LJAQVGFWSA-N
• XLogP: 4.02
• TPSA: 170.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.81
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?

The IUPAC name of 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide (CID 177346960) is 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide.

What is the SMILES notation for 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?

The canonical SMILES for 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide is CC[C@H]1c2c(cnn2C2CN(C(=O)c3cccc(C(=O)N(C)C)n3)C2)-c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(=O)NC3CC3)c2N1C.

What is the InChIKey of 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?

The InChIKey is WLXFAYJSZQXEDF-LJAQVGFWSA-N. The full InChI is InChI=1S/C37H41N11O4/c1-5-29-33-24(17-38-48(33)22-18-47(19-22)37(52)27-11-7-10-26(41-27)36(51)45(2)3)23-8-6-9-25(32(23)46(29)4)40-28-16-30(42-34(49)20-12-13-20)43-44-31(28)35(50)39-21-14-15-21/h6-11,16-17,20-22,29H,5,12-15,18-19H2,1-4H3,(H,39,50)(H2,40,42,43,49)/t29-/m0/s1.

What are the key properties of 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide?

6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide has a molecular weight of 703.81 g/mol, XLogP of 4.02, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 177346960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).