1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

C14H19N5O2 — CID 10424262

IUPAC1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCOCC3)c(C(N)=O)cnc21
InChIInChI=1S/C14H19N5O2/c1-2-19-14-11(8-17-19)12(10(7-16-14)13(15)20)18-9-3-5-21-6-4-9/h7-9H,2-6H2,1H3,(H2,15,20)(H,16,18)
InChIKeyWCQGWCAMAORVOO-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.14
Rot. Bonds4

About 1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 10424262) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID10424262
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCOCC3)c(C(N)=O)cnc21
InChIInChI=1S/C14H19N5O2/c1-2-19-14-11(8-17-19)12(10(7-16-14)13(15)20)18-9-3-5-21-6-4-9/h7-9H,2-6H2,1H3,(H2,15,20)(H,16,18)
InChIKeyWCQGWCAMAORVOO-UHFFFAOYSA-N
XLogP1.14
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 10424262) is 1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NC3CCOCC3)c(C(N)=O)cnc21.
What is the InChIKey of 1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is WCQGWCAMAORVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-19-14-11(8-17-19)12(10(7-16-14)13(15)20)18-9-3-5-21-6-4-9/h7-9H,2-6H2,1H3,(H2,15,20)(H,16,18).
What are the key properties of 1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 10424262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).