1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide

C25H23N7O2 — CID 123173938

IUPAC1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide
SMILESCc1cc(/N=C/C2C(=O)Nc3ccc(Cc4ccc(NC(=O)c5nccn5C)cc4)cc32)n[nH]1
InChIInChI=1S/C25H23N7O2/c1-15-11-22(31-30-15)27-14-20-19-13-17(5-8-21(19)29-24(20)33)12-16-3-6-18(7-4-16)28-25(34)23-26-9-10-32(23)2/h3-11,13-14,20H,12H2,1-2H3,(H,28,34)(H,29,33)(H,30,31)/b27-14+
InChIKeyFEPFMNIMFKOJKU-MZJWZYIUSA-N
MW453.51 g/mol
LogP3.73
Rot. Bonds6

About 1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide

1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide (PubChem CID 123173938) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide
PubChem CID123173938
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide
SMILESCc1cc(/N=C/C2C(=O)Nc3ccc(Cc4ccc(NC(=O)c5nccn5C)cc4)cc32)n[nH]1
InChIInChI=1S/C25H23N7O2/c1-15-11-22(31-30-15)27-14-20-19-13-17(5-8-21(19)29-24(20)33)12-16-3-6-18(7-4-16)28-25(34)23-26-9-10-32(23)2/h3-11,13-14,20H,12H2,1-2H3,(H,28,34)(H,29,33)(H,30,31)/b27-14+
InChIKeyFEPFMNIMFKOJKU-MZJWZYIUSA-N
XLogP3.73
TPSA117.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]pyrazole-3-carboxamide
CID 123413258
2-ethyl-5-methyl-N-[4-[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindole-5-carbonyl]phenyl]pyrazole-3-carboxamide
CID 123381572
N-[4-[[3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]thiophene-2-carboxamide
CID 91176990
N-[4-[[3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]thiophene-2-carboxamide
CID 91012223
3-[[5-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1H-pyrazol-3-yl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 90800827
2-ethyl-N-[4-[3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-2-oxo-1,3-dihydroindole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 91497616
5-acetyl-N-[4-[3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-5-carbonyl]phenyl]thiophene-2-carboxamide
CID 90948884
N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-1-methylimidazole-2-carboxamide
CID 58242966
5-fluoro-3-[[5-(furan-2-yl)-1H-pyrazol-3-yl]iminomethyl]-1,3-dihydroindol-2-one
CID 91485494
3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 51187656
2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 90745562
3-[(1-methylimidazole-2-carbonyl)amino]benzoic acid
CID 110467287

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide (CID 123173938) is 1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide is Cc1cc(/N=C/C2C(=O)Nc3ccc(Cc4ccc(NC(=O)c5nccn5C)cc4)cc32)n[nH]1.
What is the InChIKey of 1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide?
The InChIKey is FEPFMNIMFKOJKU-MZJWZYIUSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-15-11-22(31-30-15)27-14-20-19-13-17(5-8-21(19)29-24(20)33)12-16-3-6-18(7-4-16)28-25(34)23-26-9-10-32(23)2/h3-11,13-14,20H,12H2,1-2H3,(H,28,34)(H,29,33)(H,30,31)/b27-14+.
What are the key properties of 1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide?
1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]imidazole-2-carboxamide is sourced from PubChem (CID 123173938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).