N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]pyridazine-4-carboxamide

C31H26N10O2 — CID 170672803

About N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]pyridazine-4-carboxamide

N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]pyridazine-4-carboxamide (PubChem CID 170672803) has the molecular formula C31H26N10O2 and a molecular weight of 570.62 g/mol. Its IUPAC name is N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]pyridazine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]pyridazine-4-carboxamide
• PubChem CID: 170672803
• Molecular Formula: C31H26N10O2
• Molecular Weight: 570.62 g/mol
• Exact Mass: 570.22
• IUPAC Name: N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]pyridazine-4-carboxamide
• SMILES: Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(NC(=O)c5ccnnc5)cccc4C3=O)cccc12
• InChI: InChI=1S/C31H26N10O2/c1-17-13-33-31(37-26-12-18(2)40(3)39-26)38-27(17)22-15-32-28-20(22)6-5-9-25(28)41-16-23-21(30(41)43)7-4-8-24(23)36-29(42)19-10-11-34-35-14-19/h4-15,32H,16H2,1-3H3,(H,36,42)(H,33,37,38,39)
• InChIKey: HBWLNCPYNOSADK-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 146.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.62
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]pyridazine-4-carboxamide?

The IUPAC name of N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]pyridazine-4-carboxamide (CID 170672803) is N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]pyridazine-4-carboxamide.

What is the SMILES notation for N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]pyridazine-4-carboxamide?

The canonical SMILES for N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]pyridazine-4-carboxamide is Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(NC(=O)c5ccnnc5)cccc4C3=O)cccc12.

What is the InChIKey of N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]pyridazine-4-carboxamide?

The InChIKey is HBWLNCPYNOSADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N10O2/c1-17-13-33-31(37-26-12-18(2)40(3)39-26)38-27(17)22-15-32-28-20(22)6-5-9-25(28)41-16-23-21(30(41)43)7-4-8-24(23)36-29(42)19-10-11-34-35-14-19/h4-15,32H,16H2,1-3H3,(H,36,42)(H,33,37,38,39).

What are the key properties of N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]pyridazine-4-carboxamide?

N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]pyridazine-4-carboxamide has a molecular weight of 570.62 g/mol, XLogP of 4.92, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 170672803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).