4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide

C26H31N7O5S — CID 177370838

IUPAC4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCCOc1cncc(-c2ccc(C3COCCC3(C(N)=O)c3ccnc(NS(=O)(=O)C4CCCC4)n3)nc2)n1
InChIInChI=1S/C26H31N7O5S/c1-2-38-23-15-28-14-21(31-23)17-7-8-20(30-13-17)19-16-37-12-10-26(19,24(27)34)22-9-11-29-25(32-22)33-39(35,36)18-5-3-4-6-18/h7-9,11,13-15,18-19H,2-6,10,12,16H2,1H3,(H2,27,34)(H,29,32,33)
InChIKeyGNUUYWGMRXDYMA-UHFFFAOYSA-N
MW553.65 g/mol
LogP2.34
Rot. Bonds9

About 4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide

4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 177370838) has the molecular formula C26H31N7O5S and a molecular weight of 553.65 g/mol. Its IUPAC name is 4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide
PubChem CID177370838
Molecular FormulaC26H31N7O5S
Molecular Weight553.65 g/mol
Exact Mass553.21
IUPAC Name4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCCOc1cncc(-c2ccc(C3COCCC3(C(N)=O)c3ccnc(NS(=O)(=O)C4CCCC4)n3)nc2)n1
InChIInChI=1S/C26H31N7O5S/c1-2-38-23-15-28-14-21(31-23)17-7-8-20(30-13-17)19-16-37-12-10-26(19,24(27)34)22-9-11-29-25(32-22)33-39(35,36)18-5-3-4-6-18/h7-9,11,13-15,18-19H,2-6,10,12,16H2,1H3,(H2,27,34)(H,29,32,33)
InChIKeyGNUUYWGMRXDYMA-UHFFFAOYSA-N
XLogP2.34
TPSA172.17 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.65
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(methanesulfonamido)pyrimidin-4-yl]piperidine-4-carboxamide
CID 177370841
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
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]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 155375770
N-[4-[4-[1-[[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]amino]ethenyl]oxan-4-yl]pyrimidin-2-yl]ethanesulfonamide
CID 174368352
N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide
CID 167289449
N-[4-[1-[4-(6-ethoxypyrazin-2-yl)anilino]propyl]pyrimidin-2-yl]cyclopropanesulfonamide
CID 176884822
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methoxyacetamide
CID 139509948
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide
CID 139510069
N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide
CID 155368534
N-[2-[(2R)-1-[5-(6-ethoxypyrazin-2-yl)pyridine-2-carbonyl]-2-methylpyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
CID 163271946

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of 4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide (CID 177370838) is 4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for 4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide is CCOc1cncc(-c2ccc(C3COCCC3(C(N)=O)c3ccnc(NS(=O)(=O)C4CCCC4)n3)nc2)n1.
What is the InChIKey of 4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is GNUUYWGMRXDYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O5S/c1-2-38-23-15-28-14-21(31-23)17-7-8-20(30-13-17)19-16-37-12-10-26(19,24(27)34)22-9-11-29-25(32-22)33-39(35,36)18-5-3-4-6-18/h7-9,11,13-15,18-19H,2-6,10,12,16H2,1H3,(H2,27,34)(H,29,32,33).
What are the key properties of 4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide?
4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 553.65 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 177370838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).