N-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine

C25H23F5N6O — CID 138715478

IUPACN-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cncc(F)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C25H23F5N6O/c1-2-32-21-10-20-18(13-34-21)23(14-9-15(26)12-31-11-14)35-36(20)16-3-5-17(6-4-16)37-24-22(27)19(7-8-33-24)25(28,29)30/h7-13,16-17H,2-6H2,1H3,(H,32,34)
InChIKeyGUOCEPTXKXOBGI-UHFFFAOYSA-N
MW518.49 g/mol
LogP6.18
Rot. Bonds6

About N-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine

N-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715478) has the molecular formula C25H23F5N6O and a molecular weight of 518.49 g/mol. Its IUPAC name is N-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715478
Molecular FormulaC25H23F5N6O
Molecular Weight518.49 g/mol
Exact Mass518.19
IUPAC NameN-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cncc(F)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C25H23F5N6O/c1-2-32-21-10-20-18(13-34-21)23(14-9-15(26)12-31-11-14)35-36(20)16-3-5-17(6-4-16)37-24-22(27)19(7-8-33-24)25(28,29)30/h7-13,16-17H,2-6H2,1H3,(H,32,34)
InChIKeyGUOCEPTXKXOBGI-UHFFFAOYSA-N
XLogP6.18
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.49
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (CID 138715478) is N-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1cncc(F)c1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1.
What is the InChIKey of N-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is GUOCEPTXKXOBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F5N6O/c1-2-32-21-10-20-18(13-34-21)23(14-9-15(26)12-31-11-14)35-36(20)16-3-5-17(6-4-16)37-24-22(27)19(7-8-33-24)25(28,29)30/h7-13,16-17H,2-6H2,1H3,(H,32,34).
What are the key properties of N-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
N-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 518.49 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-fluoro-3-pyridinyl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).