N-[2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H23F3N6O2S — CID 118172529

IUPACN-[2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(Cc4ccsc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H23F3N6O2S/c26-25(27,28)22-3-1-2-21(30-22)24(36)29-19-4-5-20-18(12-19)14-34(31-20)15-23(35)33-9-7-32(8-10-33)13-17-6-11-37-16-17/h1-6,11-12,14,16H,7-10,13,15H2,(H,29,36)
InChIKeyOIZSOQASWZXGHK-UHFFFAOYSA-N
MW528.56 g/mol
LogP4.11
Rot. Bonds6

About N-[2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172529) has the molecular formula C25H23F3N6O2S and a molecular weight of 528.56 g/mol. Its IUPAC name is N-[2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172529
Molecular FormulaC25H23F3N6O2S
Molecular Weight528.56 g/mol
Exact Mass528.16
IUPAC NameN-[2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(Cc4ccsc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H23F3N6O2S/c26-25(27,28)22-3-1-2-21(30-22)24(36)29-19-4-5-20-18(12-19)14-34(31-20)15-23(35)33-9-7-32(8-10-33)13-17-6-11-37-16-17/h1-6,11-12,14,16H,7-10,13,15H2,(H,29,36)
InChIKeyOIZSOQASWZXGHK-UHFFFAOYSA-N
XLogP4.11
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-hydroxy-5-(1-(2-oxo-2-(quinolin-8-ylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 9977875
2-(2-(3-(Trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 52948597
US9951086, Example 30
CID 118172870
US9951086, Example 20
CID 118172933
US9951086, Example 28
CID 118172944
US9951086, Example 1
CID 118172966
US9951086, Example 87
CID 118173145
5-acetyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
CID 22978186
N-[4-[(3R,4S,5S)-3-amino-5-methyl-4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 72548668
US10435396, Example 53
CID 137377455
N-[3-(1H-indol-3-yl)-1-oxo-1-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]propan-2-yl]thiophene-2-carboxamide
CID 9676732
N-hydroxy-5-(1-(2-((1-methyl-1H-indol-2-yl)methylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418207

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172529) is N-[2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc2nn(CC(=O)N3CCN(Cc4ccsc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is OIZSOQASWZXGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O2S/c26-25(27,28)22-3-1-2-21(30-22)24(36)29-19-4-5-20-18(12-19)14-34(31-20)15-23(35)33-9-7-32(8-10-33)13-17-6-11-37-16-17/h1-6,11-12,14,16H,7-10,13,15H2,(H,29,36).
What are the key properties of N-[2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 528.56 g/mol, XLogP of 4.11, 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-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).