N-methyl-4-[(5-methyl-3,4-dihydropyrazolo[5,4-c]quinolin-6-yl)amino]-6-[(1-methylpyrazole-4-carbonyl)amino]pyridazine-3-carboxamide

C22H22N10O2 — CID 177348547

About N-methyl-4-[(5-methyl-3,4-dihydropyrazolo[5,4-c]quinolin-6-yl)amino]-6-[(1-methylpyrazole-4-carbonyl)amino]pyridazine-3-carboxamide

N-methyl-4-[(5-methyl-3,4-dihydropyrazolo[5,4-c]quinolin-6-yl)amino]-6-[(1-methylpyrazole-4-carbonyl)amino]pyridazine-3-carboxamide (PubChem CID 177348547) has the molecular formula C22H22N10O2 and a molecular weight of 458.49 g/mol. Its IUPAC name is N-methyl-4-[(5-methyl-3,4-dihydropyrazolo[5,4-c]quinolin-6-yl)amino]-6-[(1-methylpyrazole-4-carbonyl)amino]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-4-[(5-methyl-3,4-dihydropyrazolo[5,4-c]quinolin-6-yl)amino]-6-[(1-methylpyrazole-4-carbonyl)amino]pyridazine-3-carboxamide
• PubChem CID: 177348547
• Molecular Formula: C22H22N10O2
• Molecular Weight: 458.49 g/mol
• Exact Mass: 458.19
• IUPAC Name: N-methyl-4-[(5-methyl-3,4-dihydropyrazolo[5,4-c]quinolin-6-yl)amino]-6-[(1-methylpyrazole-4-carbonyl)amino]pyridazine-3-carboxamide
• SMILES: CNC(=O)c1nnc(NC(=O)c2cnn(C)c2)cc1Nc1cccc2c1N(C)Cc1[nH]ncc1-2
• InChI: InChI=1S/C22H22N10O2/c1-23-22(34)19-16(7-18(29-30-19)27-21(33)12-8-25-32(3)10-12)26-15-6-4-5-13-14-9-24-28-17(14)11-31(2)20(13)15/h4-10H,11H2,1-3H3,(H,23,34)(H,24,28)(H2,26,27,29,33)
• InChIKey: BDNOEQUDZRAUDX-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 145.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.49
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-methyl-3,4-dihydropyrazolo[5,4-c]quinolin-6-yl)amino]-6-[(1-methylpyrazole-4-carbonyl)amino]pyridazine-3-carboxamide?

The IUPAC name of N-methyl-4-[(5-methyl-3,4-dihydropyrazolo[5,4-c]quinolin-6-yl)amino]-6-[(1-methylpyrazole-4-carbonyl)amino]pyridazine-3-carboxamide (CID 177348547) is N-methyl-4-[(5-methyl-3,4-dihydropyrazolo[5,4-c]quinolin-6-yl)amino]-6-[(1-methylpyrazole-4-carbonyl)amino]pyridazine-3-carboxamide.

What is the SMILES notation for N-methyl-4-[(5-methyl-3,4-dihydropyrazolo[5,4-c]quinolin-6-yl)amino]-6-[(1-methylpyrazole-4-carbonyl)amino]pyridazine-3-carboxamide?

The canonical SMILES for N-methyl-4-[(5-methyl-3,4-dihydropyrazolo[5,4-c]quinolin-6-yl)amino]-6-[(1-methylpyrazole-4-carbonyl)amino]pyridazine-3-carboxamide is CNC(=O)c1nnc(NC(=O)c2cnn(C)c2)cc1Nc1cccc2c1N(C)Cc1[nH]ncc1-2.

What is the InChIKey of N-methyl-4-[(5-methyl-3,4-dihydropyrazolo[5,4-c]quinolin-6-yl)amino]-6-[(1-methylpyrazole-4-carbonyl)amino]pyridazine-3-carboxamide?

The InChIKey is BDNOEQUDZRAUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N10O2/c1-23-22(34)19-16(7-18(29-30-19)27-21(33)12-8-25-32(3)10-12)26-15-6-4-5-13-14-9-24-28-17(14)11-31(2)20(13)15/h4-10H,11H2,1-3H3,(H,23,34)(H,24,28)(H2,26,27,29,33).

What are the key properties of N-methyl-4-[(5-methyl-3,4-dihydropyrazolo[5,4-c]quinolin-6-yl)amino]-6-[(1-methylpyrazole-4-carbonyl)amino]pyridazine-3-carboxamide?

N-methyl-4-[(5-methyl-3,4-dihydropyrazolo[5,4-c]quinolin-6-yl)amino]-6-[(1-methylpyrazole-4-carbonyl)amino]pyridazine-3-carboxamide has a molecular weight of 458.49 g/mol, XLogP of 1.91, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-[(5-methyl-3,4-dihydropyrazolo[5,4-c]quinolin-6-yl)amino]-6-[(1-methylpyrazole-4-carbonyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 177348547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).