2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide

C25H23FN8O — CID 20778074

IUPAC2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cc(Nc2ccc3c(/C=C/C4=NC=NC4)n[nH]c3c2)ccc1F
InChIInChI=1S/C25H23FN8O/c1-3-34-24(10-15(2)33-34)25(35)30-23-12-17(5-8-20(23)26)29-16-4-7-19-21(31-32-22(19)11-16)9-6-18-13-27-14-28-18/h4-12,14,29H,3,13H2,1-2H3,(H,30,35)(H,31,32)/b9-6+
InChIKeyJZZNFCLPRXEALC-RMKNXTFCSA-N
MW470.51 g/mol
LogP4.72
Rot. Bonds7

About 2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide

2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 20778074) has the molecular formula C25H23FN8O and a molecular weight of 470.51 g/mol. Its IUPAC name is 2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID20778074
Molecular FormulaC25H23FN8O
Molecular Weight470.51 g/mol
Exact Mass470.20
IUPAC Name2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cc(Nc2ccc3c(/C=C/C4=NC=NC4)n[nH]c3c2)ccc1F
InChIInChI=1S/C25H23FN8O/c1-3-34-24(10-15(2)33-34)25(35)30-23-12-17(5-8-20(23)26)29-16-4-7-19-21(31-32-22(19)11-16)9-6-18-13-27-14-28-18/h4-12,14,29H,3,13H2,1-2H3,(H,30,35)(H,31,32)/b9-6+
InChIKeyJZZNFCLPRXEALC-RMKNXTFCSA-N
XLogP4.72
TPSA112.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide (CID 20778074) is 2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1cc(Nc2ccc3c(/C=C/C4=NC=NC4)n[nH]c3c2)ccc1F.
What is the InChIKey of 2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is JZZNFCLPRXEALC-RMKNXTFCSA-N. The full InChI is InChI=1S/C25H23FN8O/c1-3-34-24(10-15(2)33-34)25(35)30-23-12-17(5-8-20(23)26)29-16-4-7-19-21(31-32-22(19)11-16)9-6-18-13-27-14-28-18/h4-12,14,29H,3,13H2,1-2H3,(H,30,35)(H,31,32)/b9-6+.
What are the key properties of 2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 470.51 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-fluoro-5-[[3-[(E)-2-(4H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 20778074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).