2-methyl-N-[(1S)-2-[4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]ethyl]pyrazole-3-carboxamide

C34H35N7O3 — CID 155101784

About 2-methyl-N-[(1S)-2-[4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]ethyl]pyrazole-3-carboxamide

2-methyl-N-[(1S)-2-[4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]ethyl]pyrazole-3-carboxamide (PubChem CID 155101784) has the molecular formula C34H35N7O3 and a molecular weight of 589.70 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-2-[4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(1S)-2-[4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]ethyl]pyrazole-3-carboxamide
• PubChem CID: 155101784
• Molecular Formula: C34H35N7O3
• Molecular Weight: 589.70 g/mol
• Exact Mass: 589.28
• IUPAC Name: 2-methyl-N-[(1S)-2-[4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]ethyl]pyrazole-3-carboxamide
• SMILES: CC(C)n1cc(-c2ccc3c(c2)C([C@H](NC(=O)c2ccnn2C)C(=O)Nc2ccc(-c4cncn4C)cc2)CC3)ccc1=O
• InChI: InChI=1S/C34H35N7O3/c1-21(2)41-19-25(10-14-31(41)42)24-6-5-22-9-13-27(28(22)17-24)32(38-33(43)29-15-16-36-40(29)4)34(44)37-26-11-7-23(8-12-26)30-18-35-20-39(30)3/h5-8,10-12,14-21,27,32H,9,13H2,1-4H3,(H,37,44)(H,38,43)/t27?,32-/m0/s1
• InChIKey: OZZCSFYPBLVAHL-YCUNKVRLSA-N
• XLogP: 4.70
• TPSA: 115.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.70
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-2-[4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]ethyl]pyrazole-3-carboxamide?

The IUPAC name of 2-methyl-N-[(1S)-2-[4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]ethyl]pyrazole-3-carboxamide (CID 155101784) is 2-methyl-N-[(1S)-2-[4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]ethyl]pyrazole-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[(1S)-2-[4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]ethyl]pyrazole-3-carboxamide?

The canonical SMILES for 2-methyl-N-[(1S)-2-[4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]ethyl]pyrazole-3-carboxamide is CC(C)n1cc(-c2ccc3c(c2)C([C@H](NC(=O)c2ccnn2C)C(=O)Nc2ccc(-c4cncn4C)cc2)CC3)ccc1=O.

What is the InChIKey of 2-methyl-N-[(1S)-2-[4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]ethyl]pyrazole-3-carboxamide?

The InChIKey is OZZCSFYPBLVAHL-YCUNKVRLSA-N. The full InChI is InChI=1S/C34H35N7O3/c1-21(2)41-19-25(10-14-31(41)42)24-6-5-22-9-13-27(28(22)17-24)32(38-33(43)29-15-16-36-40(29)4)34(44)37-26-11-7-23(8-12-26)30-18-35-20-39(30)3/h5-8,10-12,14-21,27,32H,9,13H2,1-4H3,(H,37,44)(H,38,43)/t27?,32-/m0/s1.

What are the key properties of 2-methyl-N-[(1S)-2-[4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]ethyl]pyrazole-3-carboxamide?

2-methyl-N-[(1S)-2-[4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]ethyl]pyrazole-3-carboxamide has a molecular weight of 589.70 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(1S)-2-[4-(3-methylimidazol-4-yl)anilino]-2-oxo-1-[6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 155101784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).