(2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide

C23H25FN6O4S — CID 163271844

IUPAC(2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)[C@](F)(CC)c3cc(NS(=O)(=O)C4CC4)ccn3)nc2)n1
InChIInChI=1S/C23H25FN6O4S/c1-3-23(24,19-11-16(9-10-26-19)30-35(32,33)17-6-7-17)22(31)29-20-8-5-15(12-27-20)18-13-25-14-21(28-18)34-4-2/h5,8-14,17H,3-4,6-7H2,1-2H3,(H,26,30)(H,27,29,31)/t23-/m0/s1
InChIKeyFSVBJSNDSUHXGT-QHCPKHFHSA-N
MW500.56 g/mol
LogP3.45
Rot. Bonds10

About (2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide

(2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide (PubChem CID 163271844) has the molecular formula C23H25FN6O4S and a molecular weight of 500.56 g/mol. Its IUPAC name is (2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide.

Molecular Properties

Compound Name(2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide
PubChem CID163271844
Molecular FormulaC23H25FN6O4S
Molecular Weight500.56 g/mol
Exact Mass500.16
IUPAC Name(2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)[C@](F)(CC)c3cc(NS(=O)(=O)C4CC4)ccn3)nc2)n1
InChIInChI=1S/C23H25FN6O4S/c1-3-23(24,19-11-16(9-10-26-19)30-35(32,33)17-6-7-17)22(31)29-20-8-5-15(12-27-20)18-13-25-14-21(28-18)34-4-2/h5,8-14,17H,3-4,6-7H2,1-2H3,(H,26,30)(H,27,29,31)/t23-/m0/s1
InChIKeyFSVBJSNDSUHXGT-QHCPKHFHSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-[2-(methanesulfonamido)pyrimidin-4-yl]butanamide
CID 152706071
2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide
CID 177175615
N-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-fluorobutanamide
CID 139510191
1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide
CID 155379084
4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]thiane-4-carboxamide
CID 155733875
4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 155375706
N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
CID 163271946
N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
CID 163271939
3-[6-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 177175406
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide
CID 139510069
3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 177175521
tert-butyl 4-[4-(cyclopropylsulfonylamino)pyrimidin-2-yl]-4-[[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 155375695

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide?
The IUPAC name of (2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide (CID 163271844) is (2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide.
What is the SMILES notation for (2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide?
The canonical SMILES for (2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide is CCOc1cncc(-c2ccc(NC(=O)[C@](F)(CC)c3cc(NS(=O)(=O)C4CC4)ccn3)nc2)n1.
What is the InChIKey of (2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide?
The InChIKey is FSVBJSNDSUHXGT-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25FN6O4S/c1-3-23(24,19-11-16(9-10-26-19)30-35(32,33)17-6-7-17)22(31)29-20-8-5-15(12-27-20)18-13-25-14-21(28-18)34-4-2/h5,8-14,17H,3-4,6-7H2,1-2H3,(H,26,30)(H,27,29,31)/t23-/m0/s1.
What are the key properties of (2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide?
(2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide has a molecular weight of 500.56 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide is sourced from PubChem (CID 163271844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).