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

C26H25F3N6O2S — CID 122650642

IUPACN-[2-[2-oxo-2-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(c1cccs1)N1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)CC1
InChIInChI=1S/C26H25F3N6O2S/c1-17(22-5-3-13-38-22)33-9-11-34(12-10-33)24(36)16-35-15-18-14-19(7-8-20(18)32-35)30-25(37)21-4-2-6-23(31-21)26(27,28)29/h2-8,13-15,17H,9-12,16H2,1H3,(H,30,37)
InChIKeyVCQACONGNSTELC-UHFFFAOYSA-N
MW542.59 g/mol
LogP4.67
Rot. Bonds6

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

N-[2-[2-oxo-2-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 122650642) has the molecular formula C26H25F3N6O2S and a molecular weight of 542.59 g/mol. Its IUPAC name is N-[2-[2-oxo-2-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID122650642
Molecular FormulaC26H25F3N6O2S
Molecular Weight542.59 g/mol
Exact Mass542.17
IUPAC NameN-[2-[2-oxo-2-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(c1cccs1)N1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)CC1
InChIInChI=1S/C26H25F3N6O2S/c1-17(22-5-3-13-38-22)33-9-11-34(12-10-33)24(36)16-35-15-18-14-19(7-8-20(18)32-35)30-25(37)21-4-2-6-23(31-21)26(27,28)29/h2-8,13-15,17H,9-12,16H2,1H3,(H,30,37)
InChIKeyVCQACONGNSTELC-UHFFFAOYSA-N
XLogP4.67
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.59
LogP ≤ 54.67
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-(1-thiophen-2-ylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-oxo-2-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 122650642) is N-[2-[2-oxo-2-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-oxo-2-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-oxo-2-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(c1cccs1)N1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)CC1.
What is the InChIKey of N-[2-[2-oxo-2-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is VCQACONGNSTELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2S/c1-17(22-5-3-13-38-22)33-9-11-34(12-10-33)24(36)16-35-15-18-14-19(7-8-20(18)32-35)30-25(37)21-4-2-6-23(31-21)26(27,28)29/h2-8,13-15,17H,9-12,16H2,1H3,(H,30,37).
What are the key properties of N-[2-[2-oxo-2-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-oxo-2-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 542.59 g/mol, XLogP of 4.67, 6 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-(1-thiophen-2-ylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 122650642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).