2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide

C25H26F4N8O2 — CID 138682792

IUPAC2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide
SMILESCCNc1cc2c(cn1)c(-c1cnn(CC(N)=O)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C25H26F4N8O2/c1-2-31-21-9-19-17(11-33-21)23(14-10-34-36(12-14)13-20(30)38)35-37(19)15-3-5-16(6-4-15)39-24-22(26)18(7-8-32-24)25(27,28)29/h7-12,15-16H,2-6,13H2,1H3,(H2,30,38)(H,31,33)
InChIKeyDRJXFJISSWKDBH-UHFFFAOYSA-N
MW546.53 g/mol
LogP4.33
Rot. Bonds8

About 2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide

2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 138682792) has the molecular formula C25H26F4N8O2 and a molecular weight of 546.53 g/mol. Its IUPAC name is 2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide
PubChem CID138682792
Molecular FormulaC25H26F4N8O2
Molecular Weight546.53 g/mol
Exact Mass546.21
IUPAC Name2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide
SMILESCCNc1cc2c(cn1)c(-c1cnn(CC(N)=O)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C25H26F4N8O2/c1-2-31-21-9-19-17(11-33-21)23(14-10-34-36(12-14)13-20(30)38)35-37(19)15-3-5-16(6-4-15)39-24-22(26)18(7-8-32-24)25(27,28)29/h7-12,15-16H,2-6,13H2,1H3,(H2,30,38)(H,31,33)
InChIKeyDRJXFJISSWKDBH-UHFFFAOYSA-N
XLogP4.33
TPSA125.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 10159318
4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
CID 66829097
N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68290829
2-[1-methyl-3-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide
CID 70818984
4-(4-(5-Isopropoxy-1H-indazol-3-yl)pyridin-2-yl)-1-methylpiperazin-2-one
CID 90400735
1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 76072171
1-[[2-(2,2-difluoroethoxy)phenyl]methyl]-3-[3-(2-methylpyridin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 89536045
3-[[6-[6-(6-Methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]oxy]cyclohexan-1-amine
CID 89914565
US20240025908, Example 23
CID 170680057
2-[2-(1-Methyl-1H-indol-3-YL)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide
CID 16028941
2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxy-N-(1-pyridin-2-ylethyl)acetamide
CID 67209426
3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]-N-methylpropanamide
CID 11568874

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide (CID 138682792) is 2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide is CCNc1cc2c(cn1)c(-c1cnn(CC(N)=O)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1.
What is the InChIKey of 2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is DRJXFJISSWKDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N8O2/c1-2-31-21-9-19-17(11-33-21)23(14-10-34-36(12-14)13-20(30)38)35-37(19)15-3-5-16(6-4-15)39-24-22(26)18(7-8-32-24)25(27,28)29/h7-12,15-16H,2-6,13H2,1H3,(H2,30,38)(H,31,33).
What are the key properties of 2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide?
2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 546.53 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(ethylamino)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 138682792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).