3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide

C23H25FN6O4S — CID 177370852

IUPAC3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
SMILESCCOc1cncc(-c2ccc(C(N)=O)c(F)c2C(CC)c2cncc(NS(=O)(=O)C3CC3)n2)n1
InChIInChI=1S/C23H25FN6O4S/c1-3-14(17-9-26-11-19(28-17)30-35(32,33)13-5-6-13)21-15(7-8-16(22(21)24)23(25)31)18-10-27-12-20(29-18)34-4-2/h7-14H,3-6H2,1-2H3,(H2,25,31)(H,28,30)
InChIKeyBFLZWPMLHMZYQT-UHFFFAOYSA-N
MW500.56 g/mol
LogP3.02
Rot. Bonds10

About 3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide

3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide (PubChem CID 177370852) has the molecular formula C23H25FN6O4S and a molecular weight of 500.56 g/mol. Its IUPAC name is 3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
PubChem CID177370852
Molecular FormulaC23H25FN6O4S
Molecular Weight500.56 g/mol
Exact Mass500.16
IUPAC Name3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
SMILESCCOc1cncc(-c2ccc(C(N)=O)c(F)c2C(CC)c2cncc(NS(=O)(=O)C3CC3)n2)n1
InChIInChI=1S/C23H25FN6O4S/c1-3-14(17-9-26-11-19(28-17)30-35(32,33)13-5-6-13)21-15(7-8-16(22(21)24)23(25)31)18-10-27-12-20(29-18)34-4-2/h7-14H,3-6H2,1-2H3,(H2,25,31)(H,28,30)
InChIKeyBFLZWPMLHMZYQT-UHFFFAOYSA-N
XLogP3.02
TPSA150.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
CID 177370836
N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
CID 163271235
N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271743
3-[2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-2-fluoro-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide
CID 177370806
N-[(1S)-1-[3-(cyclopentylsulfonylamino)-2,6-difluorophenyl]-3-(dimethylamino)propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 170549048
N-[4-[1-[4-(6-ethoxypyrazin-2-yl)anilino]propyl]pyrimidin-2-yl]cyclopropanesulfonamide
CID 176884822
(2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide
CID 163271844
tert-butyl N-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]carbamate
CID 139519272
N-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271542
N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide
CID 163271297
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide
CID 139510069
N-[3-[4-(cyclopropylsulfonylamino)pyrimidin-2-yl]-3-bicyclo[3.1.0]hexanyl]-4-(6-ethoxypyrazin-2-yl)benzamide
CID 177175415

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The IUPAC name of 3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide (CID 177370852) is 3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide.
What is the SMILES notation for 3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The canonical SMILES for 3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide is CCOc1cncc(-c2ccc(C(N)=O)c(F)c2C(CC)c2cncc(NS(=O)(=O)C3CC3)n2)n1.
What is the InChIKey of 3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
The InChIKey is BFLZWPMLHMZYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O4S/c1-3-14(17-9-26-11-19(28-17)30-35(32,33)13-5-6-13)21-15(7-8-16(22(21)24)23(25)31)18-10-27-12-20(29-18)34-4-2/h7-14H,3-6H2,1-2H3,(H2,25,31)(H,28,30).
What are the key properties of 3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide?
3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide has a molecular weight of 500.56 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 177370852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).