2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid

C22H22F3N5O4 — CID 171928955

IUPAC2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1cccc2cn(-c3ccc(NC(=O)C4CCCNC4)cc3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H21N5O2.C2HF3O2/c21-19(26)17-5-1-3-14-12-25(24-18(14)17)16-8-6-15(7-9-16)23-20(27)13-4-2-10-22-11-13;3-2(4,5)1(6)7/h1,3,5-9,12-13,22H,2,4,10-11H2,(H2,21,26)(H,23,27);(H,6,7)
InChIKeyVPUIMEZLDRJGNF-UHFFFAOYSA-N
MW477.44 g/mol
LogP2.70
Rot. Bonds4

About 2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid

2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171928955) has the molecular formula C22H22F3N5O4 and a molecular weight of 477.44 g/mol. Its IUPAC name is 2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171928955
Molecular FormulaC22H22F3N5O4
Molecular Weight477.44 g/mol
Exact Mass477.16
IUPAC Name2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1cccc2cn(-c3ccc(NC(=O)C4CCCNC4)cc3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H21N5O2.C2HF3O2/c21-19(26)17-5-1-3-14-12-25(24-18(14)17)16-8-6-15(7-9-16)23-20(27)13-4-2-10-22-11-13;3-2(4,5)1(6)7/h1,3,5-9,12-13,22H,2,4,10-11H2,(H2,21,26)(H,23,27);(H,6,7)
InChIKeyVPUIMEZLDRJGNF-UHFFFAOYSA-N
XLogP2.70
TPSA139.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[(1S,3S)-3-aminocyclopentanecarbonyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171931596
2-[4-[[2-(azetidin-3-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171927230
2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171925444
2-[4-[[(3R)-1-methylpyrrolidin-1-ium-3-carbonyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetate
CID 87363458
2-[4-[[(2R)-pyrrolidin-1-ium-2-carbonyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetate
CID 87362242
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid
CID 118451760
2-[4-[(1-ethylpiperidin-1-ium-3-carbonyl)amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetate
CID 87362459
ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 176571066
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;trifluoromethyl acetate
CID 159354523
2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide
CID 46226329
2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ylmethyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 174579090
2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide
CID 87362352

Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid (CID 171928955) is 2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1cccc2cn(-c3ccc(NC(=O)C4CCCNC4)cc3)nc12.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is VPUIMEZLDRJGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2.C2HF3O2/c21-19(26)17-5-1-3-14-12-25(24-18(14)17)16-8-6-15(7-9-16)23-20(27)13-4-2-10-22-11-13;3-2(4,5)1(6)7/h1,3,5-9,12-13,22H,2,4,10-11H2,(H2,21,26)(H,23,27);(H,6,7).
What are the key properties of 2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid?
2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 477.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171928955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).