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

C32H36N10O3 — CID 177348655

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

6-(cyclopropanecarbonylamino)-4-[[3-[1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 177348655) has the molecular formula C32H36N10O3 and a molecular weight of 608.71 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[[3-[1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-4-[[3-[1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide
• PubChem CID: 177348655
• Molecular Formula: C32H36N10O3
• Molecular Weight: 608.71 g/mol
• Exact Mass: 608.30
• IUPAC Name: 6-(cyclopropanecarbonylamino)-4-[[3-[1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide
• SMILES: CCn1cccc(CN2CC(n3ncc4c3CN(C)c3c(Nc5cc(NC(=O)C6CC6)nnc5C(=O)NC)cccc3-4)C2)c1=O
• InChI: InChI=1S/C32H36N10O3/c1-4-41-12-6-7-20(32(41)45)15-40-16-21(17-40)42-26-18-39(3)29-22(23(26)14-34-42)8-5-9-24(29)35-25-13-27(36-30(43)19-10-11-19)37-38-28(25)31(44)33-2/h5-9,12-14,19,21H,4,10-11,15-18H2,1-3H3,(H,33,44)(H2,35,36,37,43)
• InChIKey: ICJVLGHRLOAGHA-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 142.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.71
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[[3-[1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide (CID 177348655) is 6-(cyclopropanecarbonylamino)-4-[[3-[1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide.

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

The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[[3-[1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide is CCn1cccc(CN2CC(n3ncc4c3CN(C)c3c(Nc5cc(NC(=O)C6CC6)nnc5C(=O)NC)cccc3-4)C2)c1=O.

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

The InChIKey is ICJVLGHRLOAGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N10O3/c1-4-41-12-6-7-20(32(41)45)15-40-16-21(17-40)42-26-18-39(3)29-22(23(26)14-34-42)8-5-9-24(29)35-25-13-27(36-30(43)19-10-11-19)37-38-28(25)31(44)33-2/h5-9,12-14,19,21H,4,10-11,15-18H2,1-3H3,(H,33,44)(H2,35,36,37,43).

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

6-(cyclopropanecarbonylamino)-4-[[3-[1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 608.71 g/mol, XLogP of 2.98, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-4-[[3-[1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 177348655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).