N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide

C23H25N7O4S — CID 139503398

IUPACN-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cncc(OC3CC3)n2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C23H25N7O4S/c1-23(2,18-9-10-25-22(28-18)30-35(32,33)16-6-7-16)21(31)29-19-8-3-14(11-26-19)17-12-24-13-20(27-17)34-15-4-5-15/h3,8-13,15-16H,4-7H2,1-2H3,(H,25,28,30)(H,26,29,31)
InChIKeyGVZDIJVUUKJGLR-UHFFFAOYSA-N
MW495.57 g/mol
LogP2.69
Rot. Bonds9

About N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide

N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide (PubChem CID 139503398) has the molecular formula C23H25N7O4S and a molecular weight of 495.57 g/mol. Its IUPAC name is N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
PubChem CID139503398
Molecular FormulaC23H25N7O4S
Molecular Weight495.57 g/mol
Exact Mass495.17
IUPAC NameN-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cncc(OC3CC3)n2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C23H25N7O4S/c1-23(2,18-9-10-25-22(28-18)30-35(32,33)16-6-7-16)21(31)29-19-8-3-14(11-26-19)17-12-24-13-20(27-17)34-15-4-5-15/h3,8-13,15-16H,4-7H2,1-2H3,(H,25,28,30)(H,26,29,31)
InChIKeyGVZDIJVUUKJGLR-UHFFFAOYSA-N
XLogP2.69
TPSA148.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide (CID 139503398) is N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(-c2cncc(OC3CC3)n2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
The InChIKey is GVZDIJVUUKJGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O4S/c1-23(2,18-9-10-25-22(28-18)30-35(32,33)16-6-7-16)21(31)29-19-8-3-14(11-26-19)17-12-24-13-20(27-17)34-15-4-5-15/h3,8-13,15-16H,4-7H2,1-2H3,(H,25,28,30)(H,26,29,31).
What are the key properties of N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide?
N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide has a molecular weight of 495.57 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-cyclopropyloxypyrazin-2-yl)-2-pyridinyl]-2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 139503398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).