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

C17H23N5O2 — CID 140522524

IUPAC6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCOCC3)c(C(N)=O)c(C3CC3)nc21
InChIInChI=1S/C17H23N5O2/c1-2-22-17-12(9-19-22)15(20-11-5-7-24-8-6-11)13(16(18)23)14(21-17)10-3-4-10/h9-11H,2-8H2,1H3,(H2,18,23)(H,20,21)
InChIKeyOHHMOBNDQXUBCO-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.02
Rot. Bonds5

About 6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 140522524) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID140522524
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCOCC3)c(C(N)=O)c(C3CC3)nc21
InChIInChI=1S/C17H23N5O2/c1-2-22-17-12(9-19-22)15(20-11-5-7-24-8-6-11)13(16(18)23)14(21-17)10-3-4-10/h9-11H,2-8H2,1H3,(H2,18,23)(H,20,21)
InChIKeyOHHMOBNDQXUBCO-UHFFFAOYSA-N
XLogP2.02
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 140522524) is 6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NC3CCOCC3)c(C(N)=O)c(C3CC3)nc21.
What is the InChIKey of 6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is OHHMOBNDQXUBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-22-17-12(9-19-22)15(20-11-5-7-24-8-6-11)13(16(18)23)14(21-17)10-3-4-10/h9-11H,2-8H2,1H3,(H2,18,23)(H,20,21).
What are the key properties of 6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 140522524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).