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

C31H31N11O2 — CID 177347801

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

4-[[3-[1-[(4-cyano-2-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide (PubChem CID 177347801) has the molecular formula C31H31N11O2 and a molecular weight of 589.66 g/mol. Its IUPAC name is 4-[[3-[1-[(4-cyano-2-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[3-[1-[(4-cyano-2-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
• PubChem CID: 177347801
• Molecular Formula: C31H31N11O2
• Molecular Weight: 589.66 g/mol
• Exact Mass: 589.27
• IUPAC Name: 4-[[3-[1-[(4-cyano-2-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
• SMILES: CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)Cc1c-2cnn1C1CN(Cc2cc(C#N)ccn2)C1
• InChI: InChI=1S/C31H31N11O2/c1-33-31(44)28-25(11-27(38-39-28)37-30(43)19-6-7-19)36-24-5-3-4-22-23-13-35-42(26(23)17-40(2)29(22)24)21-15-41(16-21)14-20-10-18(12-32)8-9-34-20/h3-5,8-11,13,19,21H,6-7,14-17H2,1-2H3,(H,33,44)(H2,36,37,38,43)
• InChIKey: DBXGYKNEDWODFZ-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 156.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.66
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 4-[[3-[1-[(4-cyano-2-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide (CID 177347801) is 4-[[3-[1-[(4-cyano-2-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide.

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

The canonical SMILES for 4-[[3-[1-[(4-cyano-2-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)Cc1c-2cnn1C1CN(Cc2cc(C#N)ccn2)C1.

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

The InChIKey is DBXGYKNEDWODFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N11O2/c1-33-31(44)28-25(11-27(38-39-28)37-30(43)19-6-7-19)36-24-5-3-4-22-23-13-35-42(26(23)17-40(2)29(22)24)21-15-41(16-21)14-20-10-18(12-32)8-9-34-20/h3-5,8-11,13,19,21H,6-7,14-17H2,1-2H3,(H,33,44)(H2,36,37,38,43).

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

4-[[3-[1-[(4-cyano-2-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide has a molecular weight of 589.66 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 4-[[3-[1-[(4-cyano-2-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 177347801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).