N-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H23F3N6O3 — CID 118172781

IUPACN-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(Cc4ccco4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H23F3N6O3/c26-25(27,28)22-5-1-4-21(30-22)24(36)29-18-6-7-20-17(13-18)14-34(31-20)16-23(35)33-10-8-32(9-11-33)15-19-3-2-12-37-19/h1-7,12-14H,8-11,15-16H2,(H,29,36)
InChIKeyJXKLWETXENZSLZ-UHFFFAOYSA-N
MW512.49 g/mol
LogP3.64
Rot. Bonds6

About N-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172781) has the molecular formula C25H23F3N6O3 and a molecular weight of 512.49 g/mol. Its IUPAC name is N-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172781
Molecular FormulaC25H23F3N6O3
Molecular Weight512.49 g/mol
Exact Mass512.18
IUPAC NameN-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(Cc4ccco4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H23F3N6O3/c26-25(27,28)22-5-1-4-21(30-22)24(36)29-18-6-7-20-17(13-18)14-34(31-20)16-23(35)33-10-8-32(9-11-33)15-19-3-2-12-37-19/h1-7,12-14H,8-11,15-16H2,(H,29,36)
InChIKeyJXKLWETXENZSLZ-UHFFFAOYSA-N
XLogP3.64
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172781) is N-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc2nn(CC(=O)N3CCN(Cc4ccco4)CC3)cc2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JXKLWETXENZSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O3/c26-25(27,28)22-5-1-4-21(30-22)24(36)29-18-6-7-20-17(13-18)14-34(31-20)16-23(35)33-10-8-32(9-11-33)15-19-3-2-12-37-19/h1-7,12-14H,8-11,15-16H2,(H,29,36).
What are the key properties of N-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 512.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).