3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide

C24H24F2N4O3 — CID 175218053

IUPAC3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1ccc(F)c(-c2nc(-c3ccc(OCC4CC4)nc3)cc(=O)[nH]2)c1F)C(N)=O
InChIInChI=1S/C24H24F2N4O3/c1-24(2,23(27)32)10-14-5-7-16(25)20(21(14)26)22-29-17(9-18(31)30-22)15-6-8-19(28-11-15)33-12-13-3-4-13/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,27,32)(H,29,30,31)
InChIKeyUJHPMIGDFAMOAE-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.62
Rot. Bonds8

About 3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide

3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide (PubChem CID 175218053) has the molecular formula C24H24F2N4O3 and a molecular weight of 454.48 g/mol. Its IUPAC name is 3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide
PubChem CID175218053
Molecular FormulaC24H24F2N4O3
Molecular Weight454.48 g/mol
Exact Mass454.18
IUPAC Name3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1ccc(F)c(-c2nc(-c3ccc(OCC4CC4)nc3)cc(=O)[nH]2)c1F)C(N)=O
InChIInChI=1S/C24H24F2N4O3/c1-24(2,23(27)32)10-14-5-7-16(25)20(21(14)26)22-29-17(9-18(31)30-22)15-6-8-19(28-11-15)33-12-13-3-4-13/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,27,32)(H,29,30,31)
InChIKeyUJHPMIGDFAMOAE-UHFFFAOYSA-N
XLogP3.62
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide (CID 175218053) is 3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide is CC(C)(Cc1ccc(F)c(-c2nc(-c3ccc(OCC4CC4)nc3)cc(=O)[nH]2)c1F)C(N)=O.
What is the InChIKey of 3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide?
The InChIKey is UJHPMIGDFAMOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O3/c1-24(2,23(27)32)10-14-5-7-16(25)20(21(14)26)22-29-17(9-18(31)30-22)15-6-8-19(28-11-15)33-12-13-3-4-13/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,27,32)(H,29,30,31).
What are the key properties of 3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide?
3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide has a molecular weight of 454.48 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 175218053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).