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

C35H37N11O4 — CID 177347854

About 6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[6-(pyrrolidine-1-carbonyl)pyridine-2-carbonyl]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)pyridine-2-carbonyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide (PubChem CID 177347854) has the molecular formula C35H37N11O4 and a molecular weight of 675.75 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[6-(pyrrolidine-1-carbonyl)pyridine-2-carbonyl]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)pyridine-2-carbonyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
• PubChem CID: 177347854
• Molecular Formula: C35H37N11O4
• Molecular Weight: 675.75 g/mol
• Exact Mass: 675.30
• IUPAC Name: 6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[6-(pyrrolidine-1-carbonyl)pyridine-2-carbonyl]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(C(=O)c2cccc(C(=O)N3CCCC3)n2)C1
• InChI: InChI=1S/C35H37N11O4/c1-36-33(48)30-27(15-29(41-42-30)40-32(47)20-11-12-20)38-24-8-5-7-22-23-16-37-46(28(23)19-43(2)31(22)24)21-17-45(18-21)35(50)26-10-6-9-25(39-26)34(49)44-13-3-4-14-44/h5-10,15-16,20-21H,3-4,11-14,17-19H2,1-2H3,(H,36,48)(H2,38,40,41,47)
• InChIKey: RKMBNHNJGYHBNK-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 170.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.75
LogP ≤ 5	3.07
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)pyridine-2-carbonyl]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)pyridine-2-carbonyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide (CID 177347854) is 6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[6-(pyrrolidine-1-carbonyl)pyridine-2-carbonyl]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)pyridine-2-carbonyl]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)pyridine-2-carbonyl]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(C(=O)c2cccc(C(=O)N3CCCC3)n2)C1.

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

The InChIKey is RKMBNHNJGYHBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N11O4/c1-36-33(48)30-27(15-29(41-42-30)40-32(47)20-11-12-20)38-24-8-5-7-22-23-16-37-46(28(23)19-43(2)31(22)24)21-17-45(18-21)35(50)26-10-6-9-25(39-26)34(49)44-13-3-4-14-44/h5-10,15-16,20-21H,3-4,11-14,17-19H2,1-2H3,(H,36,48)(H2,38,40,41,47).

What are the key properties of 6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[6-(pyrrolidine-1-carbonyl)pyridine-2-carbonyl]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)pyridine-2-carbonyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide has a molecular weight of 675.75 g/mol, XLogP of 3.07, 8 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)pyridine-2-carbonyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 177347854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).