N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide

C24H26FN5O4S — CID 157283568

IUPACN-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC(CC)c3ccnc(CS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C24H26FN5O4S/c1-3-19(20-9-10-27-22(28-20)14-35(32,33)16-6-7-16)30-24(31)17-8-5-15(11-18(17)25)21-12-26-13-23(29-21)34-4-2/h5,8-13,16,19H,3-4,6-7,14H2,1-2H3,(H,30,31)
InChIKeyAZYOUJUJAYKZAH-UHFFFAOYSA-N
MW499.57 g/mol
LogP3.43
Rot. Bonds10

About N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide

N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide (PubChem CID 157283568) has the molecular formula C24H26FN5O4S and a molecular weight of 499.57 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
PubChem CID157283568
Molecular FormulaC24H26FN5O4S
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC NameN-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC(CC)c3ccnc(CS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C24H26FN5O4S/c1-3-19(20-9-10-27-22(28-20)14-35(32,33)16-6-7-16)30-24(31)17-8-5-15(11-18(17)25)21-12-26-13-23(29-21)34-4-2/h5,8-13,16,19H,3-4,6-7,14H2,1-2H3,(H,30,31)
InChIKeyAZYOUJUJAYKZAH-UHFFFAOYSA-N
XLogP3.43
TPSA124.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
CID 58073034
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide
CID 139503377
1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 139503387
1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide
CID 139503388
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide
CID 139503393
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503415
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]acetamide
CID 139503421
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]butanamide
CID 139503430
2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503441
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]butanamide
CID 139503442
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]acetamide
CID 139503443
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,6-difluorophenyl]-2-methylpropanamide
CID 139503460

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The IUPAC name of N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide (CID 157283568) is N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide is CCOc1cncc(-c2ccc(C(=O)NC(CC)c3ccnc(CS(=O)(=O)C4CC4)n3)c(F)c2)n1.
What is the InChIKey of N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The InChIKey is AZYOUJUJAYKZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4S/c1-3-19(20-9-10-27-22(28-20)14-35(32,33)16-6-7-16)30-24(31)17-8-5-15(11-18(17)25)21-12-26-13-23(29-21)34-4-2/h5,8-13,16,19H,3-4,6-7,14H2,1-2H3,(H,30,31).
What are the key properties of N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide has a molecular weight of 499.57 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 157283568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).