2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide

C22H19F3N4O2 — CID 67282691

IUPAC2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ncc(OCC2(c3cc(F)ccc3F)CC2C(=O)Nc2ccc(F)cn2)c(C)n1
InChIInChI=1S/C22H19F3N4O2/c1-12-19(10-26-13(2)28-12)31-11-22(16-7-14(23)3-5-18(16)25)8-17(22)21(30)29-20-6-4-15(24)9-27-20/h3-7,9-10,17H,8,11H2,1-2H3,(H,27,29,30)
InChIKeyPUXQPPUUAAGLGD-UHFFFAOYSA-N
MW428.41 g/mol
LogP3.88
Rot. Bonds6

About 2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide

2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 67282691) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID67282691
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ncc(OCC2(c3cc(F)ccc3F)CC2C(=O)Nc2ccc(F)cn2)c(C)n1
InChIInChI=1S/C22H19F3N4O2/c1-12-19(10-26-13(2)28-12)31-11-22(16-7-14(23)3-5-18(16)25)8-17(22)21(30)29-20-6-4-15(24)9-27-20/h3-7,9-10,17H,8,11H2,1-2H3,(H,27,29,30)
InChIKeyPUXQPPUUAAGLGD-UHFFFAOYSA-N
XLogP3.88
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide (CID 67282691) is 2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide is Cc1ncc(OCC2(c3cc(F)ccc3F)CC2C(=O)Nc2ccc(F)cn2)c(C)n1.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is PUXQPPUUAAGLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-12-19(10-26-13(2)28-12)31-11-22(16-7-14(23)3-5-18(16)25)8-17(22)21(30)29-20-6-4-15(24)9-27-20/h3-7,9-10,17H,8,11H2,1-2H3,(H,27,29,30).
What are the key properties of 2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide?
2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 67282691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).