4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide

C25H27N7O2 — CID 67987871

IUPAC4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)cnc21
InChIInChI=1S/C25H27N7O2/c1-16(2)32-22-18(14-30-32)11-21(15-27-22)31-23(33)25(7-9-34-10-8-25)20-5-3-17(4-6-20)19-12-28-24(26)29-13-19/h3-6,11-16H,7-10H2,1-2H3,(H,31,33)(H2,26,28,29)
InChIKeyMPRZAKIXRDISJE-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.74
Rot. Bonds5

About 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide

4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide (PubChem CID 67987871) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide
PubChem CID67987871
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)cnc21
InChIInChI=1S/C25H27N7O2/c1-16(2)32-22-18(14-30-32)11-21(15-27-22)31-23(33)25(7-9-34-10-8-25)20-5-3-17(4-6-20)19-12-28-24(26)29-13-19/h3-6,11-16H,7-10H2,1-2H3,(H,31,33)(H2,26,28,29)
InChIKeyMPRZAKIXRDISJE-UHFFFAOYSA-N
XLogP3.74
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide 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 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide?
The IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide (CID 67987871) is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide?
The canonical SMILES for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide is CC(C)n1ncc2cc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCOCC3)cnc21.
What is the InChIKey of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide?
The InChIKey is MPRZAKIXRDISJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-16(2)32-22-18(14-30-32)11-21(15-27-22)31-23(33)25(7-9-34-10-8-25)20-5-3-17(4-6-20)19-12-28-24(26)29-13-19/h3-6,11-16H,7-10H2,1-2H3,(H,31,33)(H2,26,28,29).
What are the key properties of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide?
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide is sourced from PubChem (CID 67987871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).