6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C27H19F6N5O3 — CID 156653328

IUPAC6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nn2cc(-c3ccc4ccccc4c3)[nH]c(=O)c2c1C(F)(F)F)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C27H19F6N5O3/c1-14(19-9-8-18(11-34-19)41-13-26(28,29)30)35-24(39)22-21(27(31,32)33)23-25(40)36-20(12-38(23)37-22)17-7-6-15-4-2-3-5-16(15)10-17/h2-12,14H,13H2,1H3,(H,35,39)(H,36,40)
InChIKeyYIVSXLMBHQJTFT-UHFFFAOYSA-N
MW575.47 g/mol
LogP5.69
Rot. Bonds6

About 6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 156653328) has the molecular formula C27H19F6N5O3 and a molecular weight of 575.47 g/mol. Its IUPAC name is 6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID156653328
Molecular FormulaC27H19F6N5O3
Molecular Weight575.47 g/mol
Exact Mass575.14
IUPAC Name6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nn2cc(-c3ccc4ccccc4c3)[nH]c(=O)c2c1C(F)(F)F)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C27H19F6N5O3/c1-14(19-9-8-18(11-34-19)41-13-26(28,29)30)35-24(39)22-21(27(31,32)33)23-25(40)36-20(12-38(23)37-22)17-7-6-15-4-2-3-5-16(15)10-17/h2-12,14H,13H2,1H3,(H,35,39)(H,36,40)
InChIKeyYIVSXLMBHQJTFT-UHFFFAOYSA-N
XLogP5.69
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.47
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 156653328) is 6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CC(NC(=O)c1nn2cc(-c3ccc4ccccc4c3)[nH]c(=O)c2c1C(F)(F)F)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is YIVSXLMBHQJTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F6N5O3/c1-14(19-9-8-18(11-34-19)41-13-26(28,29)30)35-24(39)22-21(27(31,32)33)23-25(40)36-20(12-38(23)37-22)17-7-6-15-4-2-3-5-16(15)10-17/h2-12,14H,13H2,1H3,(H,35,39)(H,36,40).
What are the key properties of 6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 575.47 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-4-oxo-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 156653328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).