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

C23H22F4N6O2 — CID 138682831

IUPACN-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(1,3-oxazol-2-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1ncco1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C23H22F4N6O2/c1-2-28-18-11-17-15(12-31-18)20(22-30-9-10-34-22)32-33(17)13-3-5-14(6-4-13)35-21-19(24)16(7-8-29-21)23(25,26)27/h7-14H,2-6H2,1H3,(H,28,31)
InChIKeyYLMIZGLXVFMOMS-UHFFFAOYSA-N
MW490.46 g/mol
LogP5.63
Rot. Bonds6

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

N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(1,3-oxazol-2-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138682831) has the molecular formula C23H22F4N6O2 and a molecular weight of 490.46 g/mol. Its IUPAC name is N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(1,3-oxazol-2-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(1,3-oxazol-2-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138682831
Molecular FormulaC23H22F4N6O2
Molecular Weight490.46 g/mol
Exact Mass490.17
IUPAC NameN-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(1,3-oxazol-2-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1ncco1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C23H22F4N6O2/c1-2-28-18-11-17-15(12-31-18)20(22-30-9-10-34-22)32-33(17)13-3-5-14(6-4-13)35-21-19(24)16(7-8-29-21)23(25,26)27/h7-14H,2-6H2,1H3,(H,28,31)
InChIKeyYLMIZGLXVFMOMS-UHFFFAOYSA-N
XLogP5.63
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.46
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(1,3-oxazol-2-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(1,3-oxazol-2-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138682831) is N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(1,3-oxazol-2-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(1,3-oxazol-2-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(1,3-oxazol-2-yl)pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1ncco1)nn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1.
What is the InChIKey of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(1,3-oxazol-2-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is YLMIZGLXVFMOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N6O2/c1-2-28-18-11-17-15(12-31-18)20(22-30-9-10-34-22)32-33(17)13-3-5-14(6-4-13)35-21-19(24)16(7-8-29-21)23(25,26)27/h7-14H,2-6H2,1H3,(H,28,31).
What are the key properties of N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(1,3-oxazol-2-yl)pyrazolo[4,3-c]pyridin-6-amine?
N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(1,3-oxazol-2-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 490.46 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-3-(1,3-oxazol-2-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138682831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).