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

C26H25N7O2 — CID 123413258

IUPAC2,5-dimethyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cc3ccc4c(c3)C(/C=N/c3cc(C)[nH]n3)C(=O)N4)cc2)n(C)n1
InChIInChI=1S/C26H25N7O2/c1-15-11-24(31-30-15)27-14-21-20-13-18(6-9-22(20)29-25(21)34)12-17-4-7-19(8-5-17)28-26(35)23-10-16(2)32-33(23)3/h4-11,13-14,21H,12H2,1-3H3,(H,28,35)(H,29,34)(H,30,31)/b27-14+
InChIKeyJINATWFNCCCFKO-MZJWZYIUSA-N
MW467.53 g/mol
LogP4.04
Rot. Bonds6

About 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

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 (PubChem CID 123413258) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]pyrazole-3-carboxamide
PubChem CID123413258
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name2,5-dimethyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cc3ccc4c(c3)C(/C=N/c3cc(C)[nH]n3)C(=O)N4)cc2)n(C)n1
InChIInChI=1S/C26H25N7O2/c1-15-11-24(31-30-15)27-14-21-20-13-18(6-9-22(20)29-25(21)34)12-17-4-7-19(8-5-17)28-26(35)23-10-16(2)32-33(23)3/h4-11,13-14,21H,12H2,1-3H3,(H,28,35)(H,29,34)(H,30,31)/b27-14+
InChIKeyJINATWFNCCCFKO-MZJWZYIUSA-N
XLogP4.04
TPSA117.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
2,5-dimethyl-N-[3-[2-oxo-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 91573470
2,5-dimethyl-N-[3-[2-oxo-3-[[4-(2-pyrrolidin-1-ylethyl)phenyl]iminomethyl]-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 91093202
2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 90745562
[4-[[6-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]-2-oxo-1,3-dihydroindol-3-yl]methylideneamino]phenyl]methyl 2-(dimethylamino)acetate
CID 91435941
2-ethyl-N-[4-[3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-2-oxo-1,3-dihydroindole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 91497616
2,5-dimethyl-N-[3-[3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 91424261
N-[4-(bromomethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114310907
2-ethyl-N-[3-[3-[(3-hydroxyphenyl)iminomethyl]-2-oxo-1,3-dihydroindole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 91615081
2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 91466833

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(=O)Nc2ccc(Cc3ccc4c(c3)C(/C=N/c3cc(C)[nH]n3)C(=O)N4)cc2)n(C)n1.
What is the InChIKey of 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?
The InChIKey is JINATWFNCCCFKO-MZJWZYIUSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-15-11-24(31-30-15)27-14-21-20-13-18(6-9-22(20)29-25(21)34)12-17-4-7-19(8-5-17)28-26(35)23-10-16(2)32-33(23)3/h4-11,13-14,21H,12H2,1-3H3,(H,28,35)(H,29,34)(H,30,31)/b27-14+.
What are the key properties of 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?
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 has a molecular weight of 467.53 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123413258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).