2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide

C22H23FN6O4S — CID 139503393

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(OC)n2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C22H23FN6O4S/c1-3-15(17-8-9-25-22(28-17)29-34(31,32)14-5-6-14)21(30)27-18-7-4-13(10-16(18)23)19-11-24-12-20(26-19)33-2/h4,7-12,14-15H,3,5-6H2,1-2H3,(H,27,30)(H,25,28,29)
InChIKeyNKINVCABTXMSBG-UHFFFAOYSA-N
MW486.53 g/mol
LogP3.12
Rot. Bonds9

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide (PubChem CID 139503393) has the molecular formula C22H23FN6O4S and a molecular weight of 486.53 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide
PubChem CID139503393
Molecular FormulaC22H23FN6O4S
Molecular Weight486.53 g/mol
Exact Mass486.15
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(OC)n2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C22H23FN6O4S/c1-3-15(17-8-9-25-22(28-17)29-34(31,32)14-5-6-14)21(30)27-18-7-4-13(10-16(18)23)19-11-24-12-20(26-19)33-2/h4,7-12,14-15H,3,5-6H2,1-2H3,(H,27,30)(H,25,28,29)
InChIKeyNKINVCABTXMSBG-UHFFFAOYSA-N
XLogP3.12
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide 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

N-[2-chloro-4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
CID 139503374
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide
CID 139503377
2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide
CID 139503383
2-[2-(cyclopropylsulfonylamino)-5-fluoropyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide
CID 139503385
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-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide
CID 139503389
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503392
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
N-[4-(5-chloro-3-pyridinyl)-2-fluorophenyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butanamide
CID 139503411
2-[2-(tert-butylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503412

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide (CID 139503393) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide is CCC(C(=O)Nc1ccc(-c2cncc(OC)n2)cc1F)c1ccnc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide?
The InChIKey is NKINVCABTXMSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O4S/c1-3-15(17-8-9-25-22(28-17)29-34(31,32)14-5-6-14)21(30)27-18-7-4-13(10-16(18)23)19-11-24-12-20(26-19)33-2/h4,7-12,14-15H,3,5-6H2,1-2H3,(H,27,30)(H,25,28,29).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide has a molecular weight of 486.53 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]butanamide is sourced from PubChem (CID 139503393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).