N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide

C25H27N5O4S — CID 163271939

IUPACN-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
SMILESCCOc1cncc(-c2ccc(C(=O)N3CCC[C@@H]3c3cc(NS(=O)(=O)C4CC4)ccn3)cc2)n1
InChIInChI=1S/C25H27N5O4S/c1-2-34-24-16-26-15-22(28-24)17-5-7-18(8-6-17)25(31)30-13-3-4-23(30)21-14-19(11-12-27-21)29-35(32,33)20-9-10-20/h5-8,11-12,14-16,20,23H,2-4,9-10,13H2,1H3,(H,27,29)/t23-/m1/s1
InChIKeyYMUSIFKOOZXOSC-HSZRJFAPSA-N
MW493.59 g/mol
LogP3.82
Rot. Bonds8

About N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide

N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide (PubChem CID 163271939) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
PubChem CID163271939
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC NameN-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
SMILESCCOc1cncc(-c2ccc(C(=O)N3CCC[C@@H]3c3cc(NS(=O)(=O)C4CC4)ccn3)cc2)n1
InChIInChI=1S/C25H27N5O4S/c1-2-34-24-16-26-15-22(28-24)17-5-7-18(8-6-17)25(31)30-13-3-4-23(30)21-14-19(11-12-27-21)29-35(32,33)20-9-10-20/h5-8,11-12,14-16,20,23H,2-4,9-10,13H2,1H3,(H,27,29)/t23-/m1/s1
InChIKeyYMUSIFKOOZXOSC-HSZRJFAPSA-N
XLogP3.82
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide with MolForge

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Related Compounds

[4-[3-[4-(Aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 164617643
N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide
CID 139509920
N-[2-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propan-2-yl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide
CID 139509925
N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
CID 139509927
N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
CID 139509930
N-[2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]butan-2-yl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
CID 139509955
2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139509971
N-[[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide
CID 139509974
N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 139512764
N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)benzamide
CID 139512794
2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]butanamide
CID 139512803
N-[1-[6-(cyclopropylsulfonylamino)pyrazin-2-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
CID 139519368

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide (CID 163271939) is N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide is CCOc1cncc(-c2ccc(C(=O)N3CCC[C@@H]3c3cc(NS(=O)(=O)C4CC4)ccn3)cc2)n1.
What is the InChIKey of N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide?
The InChIKey is YMUSIFKOOZXOSC-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-2-34-24-16-26-15-22(28-24)17-5-7-18(8-6-17)25(31)30-13-3-4-23(30)21-14-19(11-12-27-21)29-35(32,33)20-9-10-20/h5-8,11-12,14-16,20,23H,2-4,9-10,13H2,1H3,(H,27,29)/t23-/m1/s1.
What are the key properties of N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide?
N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide has a molecular weight of 493.59 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 163271939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).