N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C22H15F5N6O2 — CID 86269977

IUPACN-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)C1(C(F)(F)F)CC1
InChIInChI=1S/C22H15F5N6O2/c23-13-4-2-1-3-12(13)11-33-17(15-5-8-35-32-15)9-16(31-33)19-28-10-14(24)18(29-19)30-20(34)21(6-7-21)22(25,26)27/h1-5,8-10H,6-7,11H2,(H,28,29,30,34)
InChIKeyGVDWINNGDNZTMC-UHFFFAOYSA-N
MW490.39 g/mol
LogP4.60
Rot. Bonds6

About N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 86269977) has the molecular formula C22H15F5N6O2 and a molecular weight of 490.39 g/mol. Its IUPAC name is N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID86269977
Molecular FormulaC22H15F5N6O2
Molecular Weight490.39 g/mol
Exact Mass490.12
IUPAC NameN-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)C1(C(F)(F)F)CC1
InChIInChI=1S/C22H15F5N6O2/c23-13-4-2-1-3-12(13)11-33-17(15-5-8-35-32-15)9-16(31-33)19-28-10-14(24)18(29-19)30-20(34)21(6-7-21)22(25,26)27/h1-5,8-10H,6-7,11H2,(H,28,29,30,34)
InChIKeyGVDWINNGDNZTMC-UHFFFAOYSA-N
XLogP4.60
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 86269977) is N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is O=C(Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)C1(C(F)(F)F)CC1.
What is the InChIKey of N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is GVDWINNGDNZTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N6O2/c23-13-4-2-1-3-12(13)11-33-17(15-5-8-35-32-15)9-16(31-33)19-28-10-14(24)18(29-19)30-20(34)21(6-7-21)22(25,26)27/h1-5,8-10H,6-7,11H2,(H,28,29,30,34).
What are the key properties of N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 490.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86269977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).