2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide

C27H25N7O2 — CID 22978056

IUPAC2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(=O)c3ccc4c(/C=C/c5cn(C)cn5)n[nH]c4c3)ccc2C)n(C)n1
InChIInChI=1S/C27H25N7O2/c1-16-5-6-18(12-23(16)29-27(36)25-11-17(2)32-34(25)4)26(35)19-7-9-21-22(30-31-24(21)13-19)10-8-20-14-33(3)15-28-20/h5-15H,1-4H3,(H,29,36)(H,30,31)/b10-8+
InChIKeyLHYDRBMBLXQIIJ-CSKARUKUSA-N
MW479.54 g/mol
LogP4.30
Rot. Bonds6

About 2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide (PubChem CID 22978056) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
PubChem CID22978056
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC Name2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(=O)c3ccc4c(/C=C/c5cn(C)cn5)n[nH]c4c3)ccc2C)n(C)n1
InChIInChI=1S/C27H25N7O2/c1-16-5-6-18(12-23(16)29-27(36)25-11-17(2)32-34(25)4)26(35)19-7-9-21-22(30-31-24(21)13-19)10-8-20-14-33(3)15-28-20/h5-15H,1-4H3,(H,29,36)(H,30,31)/b10-8+
InChIKeyLHYDRBMBLXQIIJ-CSKARUKUSA-N
XLogP4.30
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide (CID 22978056) is 2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(=O)c3ccc4c(/C=C/c5cn(C)cn5)n[nH]c4c3)ccc2C)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is LHYDRBMBLXQIIJ-CSKARUKUSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-16-5-6-18(12-23(16)29-27(36)25-11-17(2)32-34(25)4)26(35)19-7-9-21-22(30-31-24(21)13-19)10-8-20-14-33(3)15-28-20/h5-15H,1-4H3,(H,29,36)(H,30,31)/b10-8+.
What are the key properties of 2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-methyl-5-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 22978056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).