1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine

C21H29N5O3 — CID 69065895

IUPAC1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(NC3CCOCC3)c(C3OC=CN3C3CCOCC3)cnc21
InChIInChI=1S/C21H29N5O3/c1-2-26-20-17(14-23-26)19(24-15-3-8-27-9-4-15)18(13-22-20)21-25(7-12-29-21)16-5-10-28-11-6-16/h7,12-16,21H,2-6,8-11H2,1H3,(H,22,24)
InChIKeyYSRFJZAGBWXPOJ-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.02
Rot. Bonds5

About 1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine

1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 69065895) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
PubChem CID69065895
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
SMILESCCn1ncc2c(NC3CCOCC3)c(C3OC=CN3C3CCOCC3)cnc21
InChIInChI=1S/C21H29N5O3/c1-2-26-20-17(14-23-26)19(24-15-3-8-27-9-4-15)18(13-22-20)21-25(7-12-29-21)16-5-10-28-11-6-16/h7,12-16,21H,2-6,8-11H2,1H3,(H,22,24)
InChIKeyYSRFJZAGBWXPOJ-UHFFFAOYSA-N
XLogP3.02
TPSA73.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine (CID 69065895) is 1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(NC3CCOCC3)c(C3OC=CN3C3CCOCC3)cnc21.
What is the InChIKey of 1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is YSRFJZAGBWXPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-2-26-20-17(14-23-26)19(24-15-3-8-27-9-4-15)18(13-22-20)21-25(7-12-29-21)16-5-10-28-11-6-16/h7,12-16,21H,2-6,8-11H2,1H3,(H,22,24).
What are the key properties of 1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine?
1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 399.50 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(oxan-4-yl)-5-[3-(oxan-4-yl)-2H-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 69065895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).