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

C33H29N9O2 — CID 170672884

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]-5-methylpyridine-3-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]-5-methylpyridine-3-carboxamide (PubChem CID 170672884) has the molecular formula C33H29N9O2 and a molecular weight of 583.66 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]-5-methylpyridine-3-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]-5-methylpyridine-3-carboxamide
• PubChem CID: 170672884
• Molecular Formula: C33H29N9O2
• Molecular Weight: 583.66 g/mol
• Exact Mass: 583.24
• 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]-5-methylpyridine-3-carboxamide
• SMILES: Cc1cncc(C(=O)Nc2cccc3c2CN(c2cccc4c(-c5nc(Nc6cc(C)n(C)n6)ncc5C)c[nH]c24)C3=O)c1
• InChI: InChI=1S/C33H29N9O2/c1-18-11-21(15-34-13-18)31(43)37-26-9-5-8-23-25(26)17-42(32(23)44)27-10-6-7-22-24(16-35-30(22)27)29-19(2)14-36-33(39-29)38-28-12-20(3)41(4)40-28/h5-16,35H,17H2,1-4H3,(H,37,43)(H,36,38,39,40)
• InChIKey: XUDWATACQLDOEQ-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 133.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.66
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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]-5-methylpyridine-3-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]-5-methylpyridine-3-carboxamide (CID 170672884) 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]-5-methylpyridine-3-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]-5-methylpyridine-3-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]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cccc3c2CN(c2cccc4c(-c5nc(Nc6cc(C)n(C)n6)ncc5C)c[nH]c24)C3=O)c1.

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]-5-methylpyridine-3-carboxamide?

The InChIKey is XUDWATACQLDOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N9O2/c1-18-11-21(15-34-13-18)31(43)37-26-9-5-8-23-25(26)17-42(32(23)44)27-10-6-7-22-24(16-35-30(22)27)29-19(2)14-36-33(39-29)38-28-12-20(3)41(4)40-28/h5-16,35H,17H2,1-4H3,(H,37,43)(H,36,38,39,40).

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]-5-methylpyridine-3-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]-5-methylpyridine-3-carboxamide has a molecular weight of 583.66 g/mol, XLogP of 5.83, 6 rotatable bonds, 3 hydrogen bond donors, and 8 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]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 170672884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).