1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea

C20H27N5O — CID 75365065

IUPAC1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
SMILESCC(C)n1ncc2cc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cnc21
InChIInChI=1S/C20H27N5O/c1-12(2)25-18-16(10-22-25)6-17(11-21-18)23-19(26)24-20-7-13-3-14(8-20)5-15(4-13)9-20/h6,10-15H,3-5,7-9H2,1-2H3,(H2,23,24,26)
InChIKeyFXASLQIJYPXGTF-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.10
Rot. Bonds3

About 1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea

1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea (PubChem CID 75365065) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
PubChem CID75365065
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
SMILESCC(C)n1ncc2cc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cnc21
InChIInChI=1S/C20H27N5O/c1-12(2)25-18-16(10-22-25)6-17(11-21-18)23-19(26)24-20-7-13-3-14(8-20)5-15(4-13)9-20/h6,10-15H,3-5,7-9H2,1-2H3,(H2,23,24,26)
InChIKeyFXASLQIJYPXGTF-UHFFFAOYSA-N
XLogP4.10
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea (CID 75365065) is 1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea is CC(C)n1ncc2cc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cnc21.
What is the InChIKey of 1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea?
The InChIKey is FXASLQIJYPXGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-12(2)25-18-16(10-22-25)6-17(11-21-18)23-19(26)24-20-7-13-3-14(8-20)5-15(4-13)9-20/h6,10-15H,3-5,7-9H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea?
1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea has a molecular weight of 353.47 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea is sourced from PubChem (CID 75365065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).