N-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C26H22F3N7O3 — CID 118182573

IUPACN-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4cccnc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H22F3N7O3/c27-26(28,29)22-5-1-4-21(32-22)24(38)31-19-6-7-20-18(13-19)15-36(33-20)16-23(37)34-9-11-35(12-10-34)25(39)17-3-2-8-30-14-17/h1-8,13-15H,9-12,16H2,(H,31,38)
InChIKeyXXEBSNSFXWCEQA-UHFFFAOYSA-N
MW537.50 g/mol
LogP3.08
Rot. Bonds5

About N-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118182573) has the molecular formula C26H22F3N7O3 and a molecular weight of 537.50 g/mol. Its IUPAC name is N-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118182573
Molecular FormulaC26H22F3N7O3
Molecular Weight537.50 g/mol
Exact Mass537.17
IUPAC NameN-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4cccnc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H22F3N7O3/c27-26(28,29)22-5-1-4-21(32-22)24(38)31-19-6-7-20-18(13-19)15-36(33-20)16-23(37)34-9-11-35(12-10-34)25(39)17-3-2-8-30-14-17/h1-8,13-15H,9-12,16H2,(H,31,38)
InChIKeyXXEBSNSFXWCEQA-UHFFFAOYSA-N
XLogP3.08
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118182573) is N-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)c4cccnc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XXEBSNSFXWCEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N7O3/c27-26(28,29)22-5-1-4-21(32-22)24(38)31-19-6-7-20-18(13-19)15-36(33-20)16-23(37)34-9-11-35(12-10-34)25(39)17-3-2-8-30-14-17/h1-8,13-15H,9-12,16H2,(H,31,38).
What are the key properties of N-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 537.50 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118182573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).