N-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide

C22H27F2N5O3S — CID 123203929

IUPACN-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(F)(F)CN1CCC(S(=O)(=O)c2ccc(CNC(=O)C3=CN4CCN=C4N=C3)cc2)CC1
InChIInChI=1S/C22H27F2N5O3S/c1-22(23,24)15-28-9-6-19(7-10-28)33(31,32)18-4-2-16(3-5-18)12-26-20(30)17-13-27-21-25-8-11-29(21)14-17/h2-5,13-14,19H,6-12,15H2,1H3,(H,26,30)
InChIKeyXRZOZWMWLMDUMT-UHFFFAOYSA-N
MW479.55 g/mol
LogP1.84
Rot. Bonds7

About N-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide

N-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 123203929) has the molecular formula C22H27F2N5O3S and a molecular weight of 479.55 g/mol. Its IUPAC name is N-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID123203929
Molecular FormulaC22H27F2N5O3S
Molecular Weight479.55 g/mol
Exact Mass479.18
IUPAC NameN-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(F)(F)CN1CCC(S(=O)(=O)c2ccc(CNC(=O)C3=CN4CCN=C4N=C3)cc2)CC1
InChIInChI=1S/C22H27F2N5O3S/c1-22(23,24)15-28-9-6-19(7-10-28)33(31,32)18-4-2-16(3-5-18)12-26-20(30)17-13-27-21-25-8-11-29(21)14-17/h2-5,13-14,19H,6-12,15H2,1H3,(H,26,30)
InChIKeyXRZOZWMWLMDUMT-UHFFFAOYSA-N
XLogP1.84
TPSA94.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide (CID 123203929) is N-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide is CC(F)(F)CN1CCC(S(=O)(=O)c2ccc(CNC(=O)C3=CN4CCN=C4N=C3)cc2)CC1.
What is the InChIKey of N-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is XRZOZWMWLMDUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N5O3S/c1-22(23,24)15-28-9-6-19(7-10-28)33(31,32)18-4-2-16(3-5-18)12-26-20(30)17-13-27-21-25-8-11-29(21)14-17/h2-5,13-14,19H,6-12,15H2,1H3,(H,26,30).
What are the key properties of N-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 479.55 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-(2,2-difluoropropyl)piperidin-4-yl]sulfonylphenyl]methyl]-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 123203929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).