3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one

C24H26FN5O4S — CID 162211679

IUPAC3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one
SMILESCCOc1cncc(-c2cnc(CC(=O)C(CC)c3ccnc(CS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C24H26FN5O4S/c1-3-17(19-7-8-27-23(29-19)14-35(32,33)16-5-6-16)22(31)10-20-18(25)9-15(11-28-20)21-12-26-13-24(30-21)34-4-2/h7-9,11-13,16-17H,3-6,10,14H2,1-2H3
InChIKeyZSXREWLIMCLIGF-UHFFFAOYSA-N
MW499.57 g/mol
LogP3.25
Rot. Bonds11

About 3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one

3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one (PubChem CID 162211679) has the molecular formula C24H26FN5O4S and a molecular weight of 499.57 g/mol. Its IUPAC name is 3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one.

Molecular Properties

Compound Name3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one
PubChem CID162211679
Molecular FormulaC24H26FN5O4S
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one
SMILESCCOc1cncc(-c2cnc(CC(=O)C(CC)c3ccnc(CS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C24H26FN5O4S/c1-3-17(19-7-8-27-23(29-19)14-35(32,33)16-5-6-16)22(31)10-20-18(25)9-15(11-28-20)21-12-26-13-24(30-21)34-4-2/h7-9,11-13,16-17H,3-6,10,14H2,1-2H3
InChIKeyZSXREWLIMCLIGF-UHFFFAOYSA-N
XLogP3.25
TPSA124.89 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-(4-pyrazin-2-ylphenyl)pentan-2-one
CID 158561106
N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
CID 163271235
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-4-methoxybutanamide
CID 139513232
1-[4-(6-cyclopropyloxypyrazin-2-yl)phenyl]-3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-3-methylbutan-2-one
CID 158251168
3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-3-methyl-1-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]butan-2-one
CID 158561013
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide
CID 139510069
N-[4-[1-[4-(6-ethoxypyrazin-2-yl)anilino]propyl]pyrimidin-2-yl]cyclopropanesulfonamide
CID 176884822
5-(6-ethoxypyrazin-2-yl)-3-fluoropyridin-2-amine
CID 138673732
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-N-[(4-methoxyphenyl)methyl]butanamide
CID 139503390
3-[4-(cyclopropylsulfonylamino)pyrimidin-2-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 177175427
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide
CID 139503423
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methoxyacetamide
CID 139509948

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one?
The IUPAC name of 3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one (CID 162211679) is 3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one.
What is the SMILES notation for 3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one?
The canonical SMILES for 3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one is CCOc1cncc(-c2cnc(CC(=O)C(CC)c3ccnc(CS(=O)(=O)C4CC4)n3)c(F)c2)n1.
What is the InChIKey of 3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one?
The InChIKey is ZSXREWLIMCLIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4S/c1-3-17(19-7-8-27-23(29-19)14-35(32,33)16-5-6-16)22(31)10-20-18(25)9-15(11-28-20)21-12-26-13-24(30-21)34-4-2/h7-9,11-13,16-17H,3-6,10,14H2,1-2H3.
What are the key properties of 3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one?
3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one has a molecular weight of 499.57 g/mol, XLogP of 3.25, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 162211679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).