2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide

C20H20F3N7O2 — CID 169103170

IUPAC2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide
SMILESCC(C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)n1cc2cccc(C(N)=O)c2n1
InChIInChI=1S/C20H20F3N7O2/c1-12(30-11-13-3-2-4-15(17(24)31)16(13)27-30)18(32)28-5-7-29(8-6-28)19-25-9-14(10-26-19)20(21,22)23/h2-4,9-12H,5-8H2,1H3,(H2,24,31)
InChIKeyZXYKQNYSXHNQMV-UHFFFAOYSA-N
MW447.42 g/mol
LogP1.85
Rot. Bonds4

About 2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide

2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide (PubChem CID 169103170) has the molecular formula C20H20F3N7O2 and a molecular weight of 447.42 g/mol. Its IUPAC name is 2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide
PubChem CID169103170
Molecular FormulaC20H20F3N7O2
Molecular Weight447.42 g/mol
Exact Mass447.16
IUPAC Name2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide
SMILESCC(C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)n1cc2cccc(C(N)=O)c2n1
InChIInChI=1S/C20H20F3N7O2/c1-12(30-11-13-3-2-4-15(17(24)31)16(13)27-30)18(32)28-5-7-29(8-6-28)19-25-9-14(10-26-19)20(21,22)23/h2-4,9-12H,5-8H2,1H3,(H2,24,31)
InChIKeyZXYKQNYSXHNQMV-UHFFFAOYSA-N
XLogP1.85
TPSA110.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide?
The IUPAC name of 2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide (CID 169103170) is 2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide.
What is the SMILES notation for 2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide?
The canonical SMILES for 2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide is CC(C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)n1cc2cccc(C(N)=O)c2n1.
What is the InChIKey of 2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide?
The InChIKey is ZXYKQNYSXHNQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O2/c1-12(30-11-13-3-2-4-15(17(24)31)16(13)27-30)18(32)28-5-7-29(8-6-28)19-25-9-14(10-26-19)20(21,22)23/h2-4,9-12H,5-8H2,1H3,(H2,24,31).
What are the key properties of 2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide?
2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide has a molecular weight of 447.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]indazole-7-carboxamide is sourced from PubChem (CID 169103170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).