5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C26H24F4N6O — CID 89444823

IUPAC5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN1CCN(Cc2cc(F)cc(-c3ccc4[nH]nc(C(=O)Nc5cnccc5C(F)(F)F)c4c3)c2)CC1
InChIInChI=1S/C26H24F4N6O/c1-35-6-8-36(9-7-35)15-16-10-18(12-19(27)11-16)17-2-3-22-20(13-17)24(34-33-22)25(37)32-23-14-31-5-4-21(23)26(28,29)30/h2-5,10-14H,6-9,15H2,1H3,(H,32,37)(H,33,34)
InChIKeyMIGVIKUJVHSDAH-UHFFFAOYSA-N
MW512.51 g/mol
LogP4.78
Rot. Bonds5

About 5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89444823) has the molecular formula C26H24F4N6O and a molecular weight of 512.51 g/mol. Its IUPAC name is 5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89444823
Molecular FormulaC26H24F4N6O
Molecular Weight512.51 g/mol
Exact Mass512.19
IUPAC Name5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN1CCN(Cc2cc(F)cc(-c3ccc4[nH]nc(C(=O)Nc5cnccc5C(F)(F)F)c4c3)c2)CC1
InChIInChI=1S/C26H24F4N6O/c1-35-6-8-36(9-7-35)15-16-10-18(12-19(27)11-16)17-2-3-22-20(13-17)24(34-33-22)25(37)32-23-14-31-5-4-21(23)26(28,29)30/h2-5,10-14H,6-9,15H2,1H3,(H,32,37)(H,33,34)
InChIKeyMIGVIKUJVHSDAH-UHFFFAOYSA-N
XLogP4.78
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89444823) is 5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CN1CCN(Cc2cc(F)cc(-c3ccc4[nH]nc(C(=O)Nc5cnccc5C(F)(F)F)c4c3)c2)CC1.
What is the InChIKey of 5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is MIGVIKUJVHSDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N6O/c1-35-6-8-36(9-7-35)15-16-10-18(12-19(27)11-16)17-2-3-22-20(13-17)24(34-33-22)25(37)32-23-14-31-5-4-21(23)26(28,29)30/h2-5,10-14H,6-9,15H2,1H3,(H,32,37)(H,33,34).
What are the key properties of 5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 512.51 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[4-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89444823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).