N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide

C25H28N6O4S — CID 163271946

IUPACN-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
SMILESCCOc1cncc(-c2ccc(C(=O)N3CCC[C@]3(C)c3cc(NS(=O)(=O)C4CC4)ccn3)nc2)n1
InChIInChI=1S/C25H28N6O4S/c1-3-35-23-16-26-15-21(29-23)17-5-8-20(28-14-17)24(32)31-12-4-10-25(31,2)22-13-18(9-11-27-22)30-36(33,34)19-6-7-19/h5,8-9,11,13-16,19H,3-4,6-7,10,12H2,1-2H3,(H,27,30)/t25-/m1/s1
InChIKeyDAEOBJIHXYTXGP-RUZDIDTESA-N
MW508.60 g/mol
LogP3.39
Rot. Bonds8

About N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide

N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide (PubChem CID 163271946) has the molecular formula C25H28N6O4S and a molecular weight of 508.60 g/mol. Its IUPAC name is N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
PubChem CID163271946
Molecular FormulaC25H28N6O4S
Molecular Weight508.60 g/mol
Exact Mass508.19
IUPAC NameN-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
SMILESCCOc1cncc(-c2ccc(C(=O)N3CCC[C@]3(C)c3cc(NS(=O)(=O)C4CC4)ccn3)nc2)n1
InChIInChI=1S/C25H28N6O4S/c1-3-35-23-16-26-15-21(29-23)17-5-8-20(28-14-17)24(32)31-12-4-10-25(31,2)22-13-18(9-11-27-22)30-36(33,34)19-6-7-19/h5,8-9,11,13-16,19H,3-4,6-7,10,12H2,1-2H3,(H,27,30)/t25-/m1/s1
InChIKeyDAEOBJIHXYTXGP-RUZDIDTESA-N
XLogP3.39
TPSA127.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
CID 163271939
2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-1,3-dihydroindene-2-carboxamide
CID 177175615
(2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide
CID 163271844
N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271317
4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 155375706
N-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide
CID 167386361
4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 155375770
N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide
CID 163271297
N-[[4-(cyclopropylsulfonylamino)-1,3-thiazol-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271743
4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]thiane-4-carboxamide
CID 155733875
1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide
CID 155379084
N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-pyrrolidin-1-ylethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271184

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide (CID 163271946) is N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide is CCOc1cncc(-c2ccc(C(=O)N3CCC[C@]3(C)c3cc(NS(=O)(=O)C4CC4)ccn3)nc2)n1.
What is the InChIKey of N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide?
The InChIKey is DAEOBJIHXYTXGP-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N6O4S/c1-3-35-23-16-26-15-21(29-23)17-5-8-20(28-14-17)24(32)31-12-4-10-25(31,2)22-13-18(9-11-27-22)30-36(33,34)19-6-7-19/h5,8-9,11,13-16,19H,3-4,6-7,10,12H2,1-2H3,(H,27,30)/t25-/m1/s1.
What are the key properties of N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide?
N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide has a molecular weight of 508.60 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 163271946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).