2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide

C27H25N7O3 — CID 135886388

About 2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide

2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 135886388) has the molecular formula C27H25N7O3 and a molecular weight of 495.54 g/mol. Its IUPAC name is 2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
• PubChem CID: 135886388
• Molecular Formula: C27H25N7O3
• Molecular Weight: 495.54 g/mol
• Exact Mass: 495.20
• IUPAC Name: 2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
• SMILES: CCn1nc(C)cc1C(=O)Nc1cccc(C(=O)c2ccc3[nH]c(O)c(/C=N/c4cc(C)[nH]n4)c3c2)c1
• InChI: InChI=1S/C27H25N7O3/c1-4-34-23(10-16(3)33-34)27(37)29-19-7-5-6-17(12-19)25(35)18-8-9-22-20(13-18)21(26(36)30-22)14-28-24-11-15(2)31-32-24/h5-14,30,36H,4H2,1-3H3,(H,29,37)(H,31,32)/b28-14+
• InChIKey: HSTGPJPPVNCPKL-CCVNUDIWSA-N
• XLogP: 4.66
• TPSA: 141.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.54
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide?

The IUPAC name of 2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide (CID 135886388) is 2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide.

What is the SMILES notation for 2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide?

The canonical SMILES for 2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1cccc(C(=O)c2ccc3[nH]c(O)c(/C=N/c4cc(C)[nH]n4)c3c2)c1.

What is the InChIKey of 2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide?

The InChIKey is HSTGPJPPVNCPKL-CCVNUDIWSA-N. The full InChI is InChI=1S/C27H25N7O3/c1-4-34-23(10-16(3)33-34)27(37)29-19-7-5-6-17(12-19)25(35)18-8-9-22-20(13-18)21(26(36)30-22)14-28-24-11-15(2)31-32-24/h5-14,30,36H,4H2,1-3H3,(H,29,37)(H,31,32)/b28-14+.

What are the key properties of 2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide?

2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 495.54 g/mol, XLogP of 4.66, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[3-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 135886388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).