N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide

C29H34N6O3 — CID 24953966

About N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide

N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide (PubChem CID 24953966) has the molecular formula C29H34N6O3 and a molecular weight of 514.63 g/mol. Its IUPAC name is N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide
• PubChem CID: 24953966
• Molecular Formula: C29H34N6O3
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.27
• IUPAC Name: N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide
• SMILES: CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc4c(c3)N(CC)C(=O)C4(C)C)c2C1
• InChI: InChI=1S/C29H34N6O3/c1-6-17-10-9-11-18(7-2)24(17)30-28(38)34-15-20-22(16-34)32-33-25(20)31-26(36)19-12-13-21-23(14-19)35(8-3)27(37)29(21,4)5/h9-14H,6-8,15-16H2,1-5H3,(H,30,38)(H2,31,32,33,36)
• InChIKey: OWNRREBLNXQZGY-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 110.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide?

The IUPAC name of N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide (CID 24953966) is N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide.

What is the SMILES notation for N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide?

The canonical SMILES for N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide is CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc4c(c3)N(CC)C(=O)C4(C)C)c2C1.

What is the InChIKey of N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide?

The InChIKey is OWNRREBLNXQZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O3/c1-6-17-10-9-11-18(7-2)24(17)30-28(38)34-15-20-22(16-34)32-33-25(20)31-26(36)19-12-13-21-23(14-19)35(8-3)27(37)29(21,4)5/h9-14H,6-8,15-16H2,1-5H3,(H,30,38)(H2,31,32,33,36).

What are the key properties of N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide?

N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide has a molecular weight of 514.63 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide is sourced from PubChem (CID 24953966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).