N-[2-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C26H25F3N8O3 — CID 118173071

IUPACN-[2-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)nn1C
InChIInChI=1S/C26H25F3N8O3/c1-16-12-21(32-34(16)2)25(40)36-10-8-35(9-11-36)23(38)15-37-14-17-13-18(6-7-19(17)33-37)30-24(39)20-4-3-5-22(31-20)26(27,28)29/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,39)
InChIKeyUKTMUBCCJVNACF-UHFFFAOYSA-N
MW554.53 g/mol
LogP2.73
Rot. Bonds5

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

N-[2-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118173071) has the molecular formula C26H25F3N8O3 and a molecular weight of 554.53 g/mol. Its IUPAC name is N-[2-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118173071
Molecular FormulaC26H25F3N8O3
Molecular Weight554.53 g/mol
Exact Mass554.20
IUPAC NameN-[2-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)nn1C
InChIInChI=1S/C26H25F3N8O3/c1-16-12-21(32-34(16)2)25(40)36-10-8-35(9-11-36)23(38)15-37-14-17-13-18(6-7-19(17)33-37)30-24(39)20-4-3-5-22(31-20)26(27,28)29/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,39)
InChIKeyUKTMUBCCJVNACF-UHFFFAOYSA-N
XLogP2.73
TPSA118.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.53
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118173071) is N-[2-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cc1cc(C(=O)N2CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)nn1C.
What is the InChIKey of N-[2-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is UKTMUBCCJVNACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N8O3/c1-16-12-21(32-34(16)2)25(40)36-10-8-35(9-11-36)23(38)15-37-14-17-13-18(6-7-19(17)33-37)30-24(39)20-4-3-5-22(31-20)26(27,28)29/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,39).
What are the key properties of N-[2-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 554.53 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118173071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).