N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide

C32H38N10O3 — CID 177347498

About N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide

N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide (PubChem CID 177347498) has the molecular formula C32H38N10O3 and a molecular weight of 610.72 g/mol. Its IUPAC name is N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide
• PubChem CID: 177347498
• Molecular Formula: C32H38N10O3
• Molecular Weight: 610.72 g/mol
• Exact Mass: 610.31
• IUPAC Name: N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide
• SMILES: CNC(=O)c1nnc(Nc2ccc(CN3CCOCC3)cn2)cc1Nc1cccc2c1N(C)Cc1c-2cnn1C1CCOCC1
• InChI: InChI=1S/C32H38N10O3/c1-33-32(43)30-26(16-29(38-39-30)37-28-7-6-21(17-34-28)19-41-10-14-45-15-11-41)36-25-5-3-4-23-24-18-35-42(22-8-12-44-13-9-22)27(24)20-40(2)31(23)25/h3-7,16-18,22H,8-15,19-20H2,1-2H3,(H,33,43)(H2,34,36,37,38)
• InChIKey: XEGUDSMWFWHJIG-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 134.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.72
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide?

The IUPAC name of N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide (CID 177347498) is N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide.

What is the SMILES notation for N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide?

The canonical SMILES for N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2ccc(CN3CCOCC3)cn2)cc1Nc1cccc2c1N(C)Cc1c-2cnn1C1CCOCC1.

What is the InChIKey of N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide?

The InChIKey is XEGUDSMWFWHJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N10O3/c1-33-32(43)30-26(16-29(38-39-30)37-28-7-6-21(17-34-28)19-41-10-14-45-15-11-41)36-25-5-3-4-23-24-18-35-42(22-8-12-44-13-9-22)27(24)20-40(2)31(23)25/h3-7,16-18,22H,8-15,19-20H2,1-2H3,(H,33,43)(H2,34,36,37,38).

What are the key properties of N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide?

N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide has a molecular weight of 610.72 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 177347498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).