2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide

C23H27N7O4S — CID 139503423

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(OC(C)C)n2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C23H27N7O4S/c1-4-17(18-9-10-25-23(28-18)30-35(32,33)16-6-7-16)22(31)29-20-8-5-15(11-26-20)19-12-24-13-21(27-19)34-14(2)3/h5,8-14,16-17H,4,6-7H2,1-3H3,(H,25,28,30)(H,26,29,31)
InChIKeyPJOWGCKVXHOTGC-UHFFFAOYSA-N
MW497.58 g/mol
LogP3.15
Rot. Bonds10

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide (PubChem CID 139503423) has the molecular formula C23H27N7O4S and a molecular weight of 497.58 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide
PubChem CID139503423
Molecular FormulaC23H27N7O4S
Molecular Weight497.58 g/mol
Exact Mass497.18
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cncc(OC(C)C)n2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C23H27N7O4S/c1-4-17(18-9-10-25-23(28-18)30-35(32,33)16-6-7-16)22(31)29-20-8-5-15(11-26-20)19-12-24-13-21(27-19)34-14(2)3/h5,8-14,16-17H,4,6-7H2,1-3H3,(H,25,28,30)(H,26,29,31)
InChIKeyPJOWGCKVXHOTGC-UHFFFAOYSA-N
XLogP3.15
TPSA148.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]butanamide
CID 139503545
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-methoxybutanamide
CID 139510069
N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-propan-2-yloxypyrazin-2-yl)benzamide
CID 139509920
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methoxyacetamide
CID 139509948
N-[4-[1-[4-(6-ethoxypyrazin-2-yl)anilino]propyl]pyrimidin-2-yl]cyclopropanesulfonamide
CID 176884822
1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide
CID 155379084
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-4-methoxybutanamide
CID 139513232
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
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-N-[(4-methoxyphenyl)methyl]butanamide
CID 139503390
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503546
N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
CID 163271235

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide (CID 139503423) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide is CCC(C(=O)Nc1ccc(-c2cncc(OC(C)C)n2)cn1)c1ccnc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide?
The InChIKey is PJOWGCKVXHOTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O4S/c1-4-17(18-9-10-25-23(28-18)30-35(32,33)16-6-7-16)22(31)29-20-8-5-15(11-26-20)19-12-24-13-21(27-19)34-14(2)3/h5,8-14,16-17H,4,6-7H2,1-3H3,(H,25,28,30)(H,26,29,31).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide has a molecular weight of 497.58 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]butanamide is sourced from PubChem (CID 139503423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).