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

C23H25FN6O4S — CID 163271235

IUPACN-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
SMILESCCOc1cncc(-c2ccc(C(=O)N[C@H](CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C23H25FN6O4S/c1-3-18(19-9-10-26-23(29-19)30-35(32,33)15-6-7-15)28-22(31)16-8-5-14(11-17(16)24)20-12-25-13-21(27-20)34-4-2/h5,8-13,15,18H,3-4,6-7H2,1-2H3,(H,28,31)(H,26,29,30)/t18-/m1/s1
InChIKeySJQNYIHEDXAVGS-GOSISDBHSA-N
MW500.56 g/mol
LogP3.26
Rot. Bonds10

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

N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide (PubChem CID 163271235) has the molecular formula C23H25FN6O4S and a molecular weight of 500.56 g/mol. Its IUPAC name is N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
PubChem CID163271235
Molecular FormulaC23H25FN6O4S
Molecular Weight500.56 g/mol
Exact Mass500.16
IUPAC NameN-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
SMILESCCOc1cncc(-c2ccc(C(=O)N[C@H](CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C23H25FN6O4S/c1-3-18(19-9-10-26-23(29-19)30-35(32,33)15-6-7-15)28-22(31)16-8-5-14(11-17(16)24)20-12-25-13-21(27-20)34-4-2/h5,8-13,15,18H,3-4,6-7H2,1-2H3,(H,28,31)(H,26,29,30)/t18-/m1/s1
InChIKeySJQNYIHEDXAVGS-GOSISDBHSA-N
XLogP3.26
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide with MolForge

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Related Compounds

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-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503392
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide
CID 139503393
N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
CID 139503398
2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503406
2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503412
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2,3-dimethylphenyl]-2-methylpropanamide
CID 139503414
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503415
N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide
CID 139503416
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]acetamide
CID 139503421

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The IUPAC name of N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide (CID 163271235) is N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide is CCOc1cncc(-c2ccc(C(=O)N[C@H](CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1.
What is the InChIKey of N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The InChIKey is SJQNYIHEDXAVGS-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25FN6O4S/c1-3-18(19-9-10-26-23(29-19)30-35(32,33)15-6-7-15)28-22(31)16-8-5-14(11-17(16)24)20-12-25-13-21(27-20)34-4-2/h5,8-13,15,18H,3-4,6-7H2,1-2H3,(H,28,31)(H,26,29,30)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide has a molecular weight of 500.56 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 163271235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).