1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide

C20H25N7O4 — CID 67528939

IUPAC1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide
SMILESCCn1ncc2c(NC3CCOCC3)c(C(=O)NNC(=O)Cc3cc(C)on3)cnc21
InChIInChI=1S/C20H25N7O4/c1-3-27-19-15(11-22-27)18(23-13-4-6-30-7-5-13)16(10-21-19)20(29)25-24-17(28)9-14-8-12(2)31-26-14/h8,10-11,13H,3-7,9H2,1-2H3,(H,21,23)(H,24,28)(H,25,29)
InChIKeyQBDKDLKJHUXCNA-UHFFFAOYSA-N
MW427.47 g/mol
LogP1.34
Rot. Bonds6

About 1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide

1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide (PubChem CID 67528939) has the molecular formula C20H25N7O4 and a molecular weight of 427.47 g/mol. Its IUPAC name is 1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide
PubChem CID67528939
Molecular FormulaC20H25N7O4
Molecular Weight427.47 g/mol
Exact Mass427.20
IUPAC Name1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide
SMILESCCn1ncc2c(NC3CCOCC3)c(C(=O)NNC(=O)Cc3cc(C)on3)cnc21
InChIInChI=1S/C20H25N7O4/c1-3-27-19-15(11-22-27)18(23-13-4-6-30-7-5-13)16(10-21-19)20(29)25-24-17(28)9-14-8-12(2)31-26-14/h8,10-11,13H,3-7,9H2,1-2H3,(H,21,23)(H,24,28)(H,25,29)
InChIKeyQBDKDLKJHUXCNA-UHFFFAOYSA-N
XLogP1.34
TPSA136.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide?
The IUPAC name of 1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide (CID 67528939) is 1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide.
What is the SMILES notation for 1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide?
The canonical SMILES for 1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide is CCn1ncc2c(NC3CCOCC3)c(C(=O)NNC(=O)Cc3cc(C)on3)cnc21.
What is the InChIKey of 1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide?
The InChIKey is QBDKDLKJHUXCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O4/c1-3-27-19-15(11-22-27)18(23-13-4-6-30-7-5-13)16(10-21-19)20(29)25-24-17(28)9-14-8-12(2)31-26-14/h8,10-11,13H,3-7,9H2,1-2H3,(H,21,23)(H,24,28)(H,25,29).
What are the key properties of 1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide?
1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide has a molecular weight of 427.47 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N'-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbohydrazide is sourced from PubChem (CID 67528939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).