1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide

C23H24N6O4S — CID 139503388

IUPAC1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CC3)cc2)n1
InChIInChI=1S/C23H24N6O4S/c1-2-33-20-14-24-13-18(27-20)15-3-5-16(6-4-15)26-21(30)23(10-11-23)19-9-12-25-22(28-19)29-34(31,32)17-7-8-17/h3-6,9,12-14,17H,2,7-8,10-11H2,1H3,(H,26,30)(H,25,28,29)
InChIKeyLKQWEKMEKXDZKF-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.91
Rot. Bonds9

About 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide

1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 139503388) has the molecular formula C23H24N6O4S and a molecular weight of 480.55 g/mol. Its IUPAC name is 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID139503388
Molecular FormulaC23H24N6O4S
Molecular Weight480.55 g/mol
Exact Mass480.16
IUPAC Name1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CC3)cc2)n1
InChIInChI=1S/C23H24N6O4S/c1-2-33-20-14-24-13-18(27-20)15-3-5-16(6-4-15)26-21(30)23(10-11-23)19-9-12-25-22(28-19)29-34(31,32)17-7-8-17/h3-6,9,12-14,17H,2,7-8,10-11H2,1H3,(H,26,30)(H,25,28,29)
InChIKeyLKQWEKMEKXDZKF-UHFFFAOYSA-N
XLogP2.91
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide (CID 139503388) is 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide is CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CC3)cc2)n1.
What is the InChIKey of 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is LKQWEKMEKXDZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S/c1-2-33-20-14-24-13-18(27-20)15-3-5-16(6-4-15)26-21(30)23(10-11-23)19-9-12-25-22(28-19)29-34(31,32)17-7-8-17/h3-6,9,12-14,17H,2,7-8,10-11H2,1H3,(H,26,30)(H,25,28,29).
What are the key properties of 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide?
1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 139503388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).