4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide

C25H30N8O4S — CID 155375706

IUPAC4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCN(C)CC3)nc2)n1
InChIInChI=1S/C25H30N8O4S/c1-3-37-22-16-26-15-19(29-22)17-4-7-21(28-14-17)31-23(34)25(9-12-33(2)13-10-25)20-8-11-27-24(30-20)32-38(35,36)18-5-6-18/h4,7-8,11,14-16,18H,3,5-6,9-10,12-13H2,1-2H3,(H,27,30,32)(H,28,31,34)
InChIKeyQWNNQXAFPJJRBZ-UHFFFAOYSA-N
MW538.63 g/mol
LogP2.23
Rot. Bonds9

About 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide

4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide (PubChem CID 155375706) has the molecular formula C25H30N8O4S and a molecular weight of 538.63 g/mol. Its IUPAC name is 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide
PubChem CID155375706
Molecular FormulaC25H30N8O4S
Molecular Weight538.63 g/mol
Exact Mass538.21
IUPAC Name4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCN(C)CC3)nc2)n1
InChIInChI=1S/C25H30N8O4S/c1-3-37-22-16-26-15-19(29-22)17-4-7-21(28-14-17)31-23(34)25(9-12-33(2)13-10-25)20-8-11-27-24(30-20)32-38(35,36)18-5-6-18/h4,7-8,11,14-16,18H,3,5-6,9-10,12-13H2,1-2H3,(H,27,30,32)(H,28,31,34)
InChIKeyQWNNQXAFPJJRBZ-UHFFFAOYSA-N
XLogP2.23
TPSA152.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.63
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide (CID 155375706) is 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide is CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCN(C)CC3)nc2)n1.
What is the InChIKey of 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is QWNNQXAFPJJRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O4S/c1-3-37-22-16-26-15-19(29-22)17-4-7-21(28-14-17)31-23(34)25(9-12-33(2)13-10-25)20-8-11-27-24(30-20)32-38(35,36)18-5-6-18/h4,7-8,11,14-16,18H,3,5-6,9-10,12-13H2,1-2H3,(H,27,30,32)(H,28,31,34).
What are the key properties of 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide?
4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 538.63 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 155375706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).