N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole

C26H35N7O3S — CID 169114251

About N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole

N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole (PubChem CID 169114251) has the molecular formula C26H35N7O3S and a molecular weight of 525.68 g/mol. Its IUPAC name is N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole.

Molecular Properties

• Compound Name: N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole
• PubChem CID: 169114251
• Molecular Formula: C26H35N7O3S
• Molecular Weight: 525.68 g/mol
• Exact Mass: 525.25
• IUPAC Name: N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole
• SMILES: C=C/C=c1/ncsc1=C.CCN(CC(C)C)C(=O)C(=O)Nc1cnc(N)c2cnn(C3CCCCO3)c12
• InChI: InChI=1S/C19H28N6O3.C7H7NS/c1-4-24(11-12(2)3)19(27)18(26)23-14-10-21-17(20)13-9-22-25(16(13)14)15-7-5-6-8-28-15;1-3-4-7-6(2)9-5-8-7/h9-10,12,15H,4-8,11H2,1-3H3,(H2,20,21)(H,23,26);3-5H,1-2H2/b;7-4+
• InChIKey: JTGDDIADHSZYMX-DNLQIICGSA-N
• XLogP: 2.68
• TPSA: 128.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.68
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole?

The IUPAC name of N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole (CID 169114251) is N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole.

What is the SMILES notation for N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole?

The canonical SMILES for N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole is C=C/C=c1/ncsc1=C.CCN(CC(C)C)C(=O)C(=O)Nc1cnc(N)c2cnn(C3CCCCO3)c12.

What is the InChIKey of N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole?

The InChIKey is JTGDDIADHSZYMX-DNLQIICGSA-N. The full InChI is InChI=1S/C19H28N6O3.C7H7NS/c1-4-24(11-12(2)3)19(27)18(26)23-14-10-21-17(20)13-9-22-25(16(13)14)15-7-5-6-8-28-15;1-3-4-7-6(2)9-5-8-7/h9-10,12,15H,4-8,11H2,1-3H3,(H2,20,21)(H,23,26);3-5H,1-2H2/b;7-4+.

What are the key properties of N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole?

N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole has a molecular weight of 525.68 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole is sourced from PubChem (CID 169114251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).