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

C35H39N11O3 — CID 177346641

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

6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide (PubChem CID 177346641) has the molecular formula C35H39N11O3 and a molecular weight of 661.77 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
• PubChem CID: 177346641
• Molecular Formula: C35H39N11O3
• Molecular Weight: 661.77 g/mol
• Exact Mass: 661.32
• IUPAC Name: 6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
• SMILES: CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)Cc1c-2cnn1C1CN(Cc2cccc(C(=O)N3CCCC3)n2)C1
• InChI: InChI=1S/C35H39N11O3/c1-36-34(48)31-28(15-30(41-42-31)40-33(47)21-11-12-21)39-26-9-6-8-24-25-16-37-46(29(25)20-43(2)32(24)26)23-18-44(19-23)17-22-7-5-10-27(38-22)35(49)45-13-3-4-14-45/h5-10,15-16,21,23H,3-4,11-14,17-20H2,1-2H3,(H,36,48)(H2,39,40,41,47)
• InChIKey: DPQATZZRVXOUKO-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 153.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.77
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide (CID 177346641) is 6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide.

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

The canonical SMILES for 6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide is CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)Cc1c-2cnn1C1CN(Cc2cccc(C(=O)N3CCCC3)n2)C1.

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

The InChIKey is DPQATZZRVXOUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N11O3/c1-36-34(48)31-28(15-30(41-42-31)40-33(47)21-11-12-21)39-26-9-6-8-24-25-16-37-46(29(25)20-43(2)32(24)26)23-18-44(19-23)17-22-7-5-10-27(38-22)35(49)45-13-3-4-14-45/h5-10,15-16,21,23H,3-4,11-14,17-20H2,1-2H3,(H,36,48)(H2,39,40,41,47).

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

6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide has a molecular weight of 661.77 g/mol, XLogP of 3.43, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 177346641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).