N-[4-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[2-hydroxy-3-(2H-pyrrol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide

C50H41N13O6 — CID 162084359

About N-[4-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[2-hydroxy-3-(2H-pyrrol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide

N-[4-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[2-hydroxy-3-(2H-pyrrol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 162084359) has the molecular formula C50H41N13O6 and a molecular weight of 919.96 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[2-hydroxy-3-(2H-pyrrol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[2-hydroxy-3-(2H-pyrrol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide
• PubChem CID: 162084359
• Molecular Formula: C50H41N13O6
• Molecular Weight: 919.96 g/mol
• Exact Mass: 919.33
• IUPAC Name: N-[4-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[2-hydroxy-3-(2H-pyrrol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide
• SMILES: Cc1cc(/N=C/c2c(O)[nH]c3ccc(C(=O)c4ccc(NC(=O)c5cnn(C)c5)cc4)cc23)n[nH]1.Cn1cc(C(=O)Nc2ccc(C(=O)c3ccc4[nH]c(O)c(/C=N/C5=NCC=C5)c4c3)cc2)cn1
• InChI: InChI=1S/C25H21N7O3.C25H20N6O3/c1-14-9-22(31-30-14)26-12-20-19-10-16(5-8-21(19)29-25(20)35)23(33)15-3-6-18(7-4-15)28-24(34)17-11-27-32(2)13-17;1-31-14-17(12-28-31)24(33)29-18-7-4-15(5-8-18)23(32)16-6-9-21-19(11-16)20(25(34)30-21)13-27-22-3-2-10-26-22/h3-13,29,35H,1-2H3,(H,28,34)(H,30,31);2-9,11-14,30,34H,10H2,1H3,(H,29,33)/b26-12+;27-13+
• InChIKey: ZJTUCCBAKGGVMW-OUJNWHKLSA-N
• XLogP: 7.35
• TPSA: 265.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	919.96
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[2-hydroxy-3-(2H-pyrrol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide?

The IUPAC name of N-[4-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[2-hydroxy-3-(2H-pyrrol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide (CID 162084359) is N-[4-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[2-hydroxy-3-(2H-pyrrol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide.

What is the SMILES notation for N-[4-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[2-hydroxy-3-(2H-pyrrol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide?

The canonical SMILES for N-[4-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[2-hydroxy-3-(2H-pyrrol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide is Cc1cc(/N=C/c2c(O)[nH]c3ccc(C(=O)c4ccc(NC(=O)c5cnn(C)c5)cc4)cc23)n[nH]1.Cn1cc(C(=O)Nc2ccc(C(=O)c3ccc4[nH]c(O)c(/C=N/C5=NCC=C5)c4c3)cc2)cn1.

What is the InChIKey of N-[4-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[2-hydroxy-3-(2H-pyrrol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide?

The InChIKey is ZJTUCCBAKGGVMW-OUJNWHKLSA-N. The full InChI is InChI=1S/C25H21N7O3.C25H20N6O3/c1-14-9-22(31-30-14)26-12-20-19-10-16(5-8-21(19)29-25(20)35)23(33)15-3-6-18(7-4-15)28-24(34)17-11-27-32(2)13-17;1-31-14-17(12-28-31)24(33)29-18-7-4-15(5-8-18)23(32)16-6-9-21-19(11-16)20(25(34)30-21)13-27-22-3-2-10-26-22/h3-13,29,35H,1-2H3,(H,28,34)(H,30,31);2-9,11-14,30,34H,10H2,1H3,(H,29,33)/b26-12+;27-13+.

What are the key properties of N-[4-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[2-hydroxy-3-(2H-pyrrol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide?

N-[4-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[2-hydroxy-3-(2H-pyrrol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 919.96 g/mol, XLogP of 7.35, 11 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide;N-[4-[2-hydroxy-3-(2H-pyrrol-5-yliminomethyl)-1H-indole-5-carbonyl]phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 162084359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).