2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C24H23F4N7O3 — CID 140866133

IUPAC2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCCOC1CCC(n2cc(-n3cc(-c4nc(C(N)=O)co4)cn3)c(-c3nc(C(F)(F)F)ccc3F)n2)CC1
InChIInChI=1S/C24H23F4N7O3/c1-2-37-15-5-3-14(4-6-15)34-11-18(21(33-34)20-16(25)7-8-19(32-20)24(26,27)28)35-10-13(9-30-35)23-31-17(12-38-23)22(29)36/h7-12,14-15H,2-6H2,1H3,(H2,29,36)
InChIKeyGNDLUWQGFXLKLS-UHFFFAOYSA-N
MW533.49 g/mol
LogP4.56
Rot. Bonds7

About 2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 140866133) has the molecular formula C24H23F4N7O3 and a molecular weight of 533.49 g/mol. Its IUPAC name is 2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID140866133
Molecular FormulaC24H23F4N7O3
Molecular Weight533.49 g/mol
Exact Mass533.18
IUPAC Name2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCCOC1CCC(n2cc(-n3cc(-c4nc(C(N)=O)co4)cn3)c(-c3nc(C(F)(F)F)ccc3F)n2)CC1
InChIInChI=1S/C24H23F4N7O3/c1-2-37-15-5-3-14(4-6-15)34-11-18(21(33-34)20-16(25)7-8-19(32-20)24(26,27)28)35-10-13(9-30-35)23-31-17(12-38-23)22(29)36/h7-12,14-15H,2-6H2,1H3,(H2,29,36)
InChIKeyGNDLUWQGFXLKLS-UHFFFAOYSA-N
XLogP4.56
TPSA126.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 140866133) is 2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is CCOC1CCC(n2cc(-n3cc(-c4nc(C(N)=O)co4)cn3)c(-c3nc(C(F)(F)F)ccc3F)n2)CC1.
What is the InChIKey of 2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is GNDLUWQGFXLKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N7O3/c1-2-37-15-5-3-14(4-6-15)34-11-18(21(33-34)20-16(25)7-8-19(32-20)24(26,27)28)35-10-13(9-30-35)23-31-17(12-38-23)22(29)36/h7-12,14-15H,2-6H2,1H3,(H2,29,36).
What are the key properties of 2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 533.49 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 140866133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).