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

C24H23F4N7O3 — CID 134454041

IUPACN-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4)n3)c(-c3nc(C(F)(F)F)ccc3F)n2)CC1
InChIInChI=1S/C24H23F4N7O3/c1-2-37-15-5-3-14(4-6-15)35-11-17(21(34-35)20-16(25)7-8-19(33-20)24(26,27)28)31-22(36)18-12-38-23(32-18)13-9-29-30-10-13/h7-12,14-15H,2-6H2,1H3,(H,29,30)(H,31,36)
InChIKeyIYEQTQRIGIMRQW-UHFFFAOYSA-N
MW533.49 g/mol
LogP5.25
Rot. Bonds7

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

N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 134454041) has the molecular formula C24H23F4N7O3 and a molecular weight of 533.49 g/mol. Its IUPAC name is N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID134454041
Molecular FormulaC24H23F4N7O3
Molecular Weight533.49 g/mol
Exact Mass533.18
IUPAC NameN-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4)n3)c(-c3nc(C(F)(F)F)ccc3F)n2)CC1
InChIInChI=1S/C24H23F4N7O3/c1-2-37-15-5-3-14(4-6-15)35-11-17(21(34-35)20-16(25)7-8-19(33-20)24(26,27)28)31-22(36)18-12-38-23(32-18)13-9-29-30-10-13/h7-12,14-15H,2-6H2,1H3,(H,29,30)(H,31,36)
InChIKeyIYEQTQRIGIMRQW-UHFFFAOYSA-N
XLogP5.25
TPSA123.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.49
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-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 N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 134454041) is N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is CCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4)n3)c(-c3nc(C(F)(F)F)ccc3F)n2)CC1.
What is the InChIKey of N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is IYEQTQRIGIMRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N7O3/c1-2-37-15-5-3-14(4-6-15)35-11-17(21(34-35)20-16(25)7-8-19(33-20)24(26,27)28)31-22(36)18-12-38-23(32-18)13-9-29-30-10-13/h7-12,14-15H,2-6H2,1H3,(H,29,30)(H,31,36).
What are the key properties of N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?
N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 533.49 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 134454041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).