N-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide

C24H27FN6O4S — CID 139509925

IUPACN-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide
SMILESCC(C)Oc1cncc(-c2ccc(C(=O)NC(C)(C)c3cncc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C24H27FN6O4S/c1-14(2)35-22-13-26-10-19(28-22)15-5-8-17(18(25)9-15)23(32)30-24(3,4)20-11-27-12-21(29-20)31-36(33,34)16-6-7-16/h5,8-14,16H,6-7H2,1-4H3,(H,29,31)(H,30,32)
InChIKeySDGOATANFSPOOV-UHFFFAOYSA-N
MW514.58 g/mol
LogP3.43
Rot. Bonds9

About N-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide

N-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide (PubChem CID 139509925) has the molecular formula C24H27FN6O4S and a molecular weight of 514.58 g/mol. Its IUPAC name is N-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide
PubChem CID139509925
Molecular FormulaC24H27FN6O4S
Molecular Weight514.58 g/mol
Exact Mass514.18
IUPAC NameN-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide
SMILESCC(C)Oc1cncc(-c2ccc(C(=O)NC(C)(C)c3cncc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C24H27FN6O4S/c1-14(2)35-22-13-26-10-19(28-22)15-5-8-17(18(25)9-15)23(32)30-24(3,4)20-11-27-12-21(29-20)31-36(33,34)16-6-7-16/h5,8-14,16H,6-7H2,1-4H3,(H,29,31)(H,30,32)
InChIKeySDGOATANFSPOOV-UHFFFAOYSA-N
XLogP3.43
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide?
The IUPAC name of N-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide (CID 139509925) is N-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide.
What is the SMILES notation for N-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide?
The canonical SMILES for N-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide is CC(C)Oc1cncc(-c2ccc(C(=O)NC(C)(C)c3cncc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1.
What is the InChIKey of N-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide?
The InChIKey is SDGOATANFSPOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O4S/c1-14(2)35-22-13-26-10-19(28-22)15-5-8-17(18(25)9-15)23(32)30-24(3,4)20-11-27-12-21(29-20)31-36(33,34)16-6-7-16/h5,8-14,16H,6-7H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of N-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide?
N-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide has a molecular weight of 514.58 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide is sourced from PubChem (CID 139509925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).