2-[(Z)-[5-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1H-pyrazol-4-yl]-2-oxo-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid

C24H26N6O6 — CID 162438401

About 2-[(Z)-[5-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1H-pyrazol-4-yl]-2-oxo-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid

2-[(Z)-[5-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1H-pyrazol-4-yl]-2-oxo-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid (PubChem CID 162438401) has the molecular formula C24H26N6O6 and a molecular weight of 494.51 g/mol. Its IUPAC name is 2-[(Z)-[5-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1H-pyrazol-4-yl]-2-oxo-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(Z)-[5-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1H-pyrazol-4-yl]-2-oxo-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid
• PubChem CID: 162438401
• Molecular Formula: C24H26N6O6
• Molecular Weight: 494.51 g/mol
• Exact Mass: 494.19
• IUPAC Name: 2-[(Z)-[5-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1H-pyrazol-4-yl]-2-oxo-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid
• SMILES: CC(C)(C)OC(=O)NCCCOc1[nH]ncc1-c1cc2c(cn1)NC(=O)/C2=C\c1[nH]ccc1C(=O)O
• InChI: InChI=1S/C24H26N6O6/c1-24(2,3)36-23(34)26-6-4-8-35-21-16(11-28-30-21)18-9-14-15(20(31)29-19(14)12-27-18)10-17-13(22(32)33)5-7-25-17/h5,7,9-12,25H,4,6,8H2,1-3H3,(H,26,34)(H,28,30)(H,29,31)(H,32,33)/b15-10-
• InChIKey: NJRODDXAENOGOF-GDNBJRDFSA-N
• XLogP: 3.28
• TPSA: 171.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.51
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[5-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1H-pyrazol-4-yl]-2-oxo-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid?

The IUPAC name of 2-[(Z)-[5-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1H-pyrazol-4-yl]-2-oxo-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid (CID 162438401) is 2-[(Z)-[5-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1H-pyrazol-4-yl]-2-oxo-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid.

What is the SMILES notation for 2-[(Z)-[5-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1H-pyrazol-4-yl]-2-oxo-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid?

The canonical SMILES for 2-[(Z)-[5-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1H-pyrazol-4-yl]-2-oxo-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid is CC(C)(C)OC(=O)NCCCOc1[nH]ncc1-c1cc2c(cn1)NC(=O)/C2=C\c1[nH]ccc1C(=O)O.

What is the InChIKey of 2-[(Z)-[5-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1H-pyrazol-4-yl]-2-oxo-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid?

The InChIKey is NJRODDXAENOGOF-GDNBJRDFSA-N. The full InChI is InChI=1S/C24H26N6O6/c1-24(2,3)36-23(34)26-6-4-8-35-21-16(11-28-30-21)18-9-14-15(20(31)29-19(14)12-27-18)10-17-13(22(32)33)5-7-25-17/h5,7,9-12,25H,4,6,8H2,1-3H3,(H,26,34)(H,28,30)(H,29,31)(H,32,33)/b15-10-.

What are the key properties of 2-[(Z)-[5-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1H-pyrazol-4-yl]-2-oxo-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid?

2-[(Z)-[5-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1H-pyrazol-4-yl]-2-oxo-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid has a molecular weight of 494.51 g/mol, XLogP of 3.28, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-[5-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-1H-pyrazol-4-yl]-2-oxo-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 162438401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).