2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid

C23H25F3N6O4 — CID 171932634

IUPAC2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CCN(CC(=O)Nc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H24N6O2.C2HF3O2/c1-25-9-11-26(12-10-25)14-19(28)23-16-5-7-17(8-6-16)27-13-15-3-2-4-18(21(22)29)20(15)24-27;3-2(4,5)1(6)7/h2-8,13H,9-12,14H2,1H3,(H2,22,29)(H,23,28);(H,6,7)
InChIKeyGNZFHJSVZVAOTA-UHFFFAOYSA-N
MW506.49 g/mol
LogP1.94
Rot. Bonds5

About 2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid

2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171932634) has the molecular formula C23H25F3N6O4 and a molecular weight of 506.49 g/mol. Its IUPAC name is 2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171932634
Molecular FormulaC23H25F3N6O4
Molecular Weight506.49 g/mol
Exact Mass506.19
IUPAC Name2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CCN(CC(=O)Nc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H24N6O2.C2HF3O2/c1-25-9-11-26(12-10-25)14-19(28)23-16-5-7-17(8-6-16)27-13-15-3-2-4-18(21(22)29)20(15)24-27;3-2(4,5)1(6)7/h2-8,13H,9-12,14H2,1H3,(H2,22,29)(H,23,28);(H,6,7)
InChIKeyGNZFHJSVZVAOTA-UHFFFAOYSA-N
XLogP1.94
TPSA133.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.49
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171927230
2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171929392
2-[4-[[(1S,3S)-3-aminocyclopentanecarbonyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171931596
2-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]indazole-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171924063
2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171928955
2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide
CID 69181909
2-[4-[[[(3S,4R)-3-benzyl-1-methylpiperidin-4-yl]amino]methyl]phenyl]indazole-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171930396
2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide
CID 46226329
2-[4-[[(1-benzylpiperidin-3-yl)amino]methyl]phenyl]indazole-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171928974
2-[4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 174684039
2-[4-[(1,3-benzothiazol-5-ylamino)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171930293
2-[4-[(1S)-1-iodo-1-(methylamino)ethyl]phenyl]indazole-7-carboxamide
CID 87725791

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid (CID 171932634) is 2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid is CN1CCN(CC(=O)Nc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GNZFHJSVZVAOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2.C2HF3O2/c1-25-9-11-26(12-10-25)14-19(28)23-16-5-7-17(8-6-16)27-13-15-3-2-4-18(21(22)29)20(15)24-27;3-2(4,5)1(6)7/h2-8,13H,9-12,14H2,1H3,(H2,22,29)(H,23,28);(H,6,7).
What are the key properties of 2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 506.49 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171932634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).