4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide

C21H20F3N7O3 — CID 118182584

IUPAC4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)CC1
InChIInChI=1S/C21H20F3N7O3/c22-21(23,24)17-3-1-2-16(27-17)19(33)26-14-4-5-15-13(10-14)11-31(28-15)12-18(32)29-6-8-30(9-7-29)20(25)34/h1-5,10-11H,6-9,12H2,(H2,25,34)(H,26,33)
InChIKeySSUWRKCPWXYQIX-UHFFFAOYSA-N
MW475.43 g/mol
LogP1.93
Rot. Bonds4

About 4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide

4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide (PubChem CID 118182584) has the molecular formula C21H20F3N7O3 and a molecular weight of 475.43 g/mol. Its IUPAC name is 4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide
PubChem CID118182584
Molecular FormulaC21H20F3N7O3
Molecular Weight475.43 g/mol
Exact Mass475.16
IUPAC Name4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)CC1
InChIInChI=1S/C21H20F3N7O3/c22-21(23,24)17-3-1-2-16(27-17)19(33)26-14-4-5-15-13(10-14)11-31(28-15)12-18(32)29-6-8-30(9-7-29)20(25)34/h1-5,10-11H,6-9,12H2,(H2,25,34)(H,26,33)
InChIKeySSUWRKCPWXYQIX-UHFFFAOYSA-N
XLogP1.93
TPSA126.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide (CID 118182584) is 4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide is NC(=O)N1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)CC1.
What is the InChIKey of 4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide?
The InChIKey is SSUWRKCPWXYQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O3/c22-21(23,24)17-3-1-2-16(27-17)19(33)26-14-4-5-15-13(10-14)11-31(28-15)12-18(32)29-6-8-30(9-7-29)20(25)34/h1-5,10-11H,6-9,12H2,(H2,25,34)(H,26,33).
What are the key properties of 4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide?
4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide has a molecular weight of 475.43 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 118182584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).