4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C23H24ClN5O2 — CID 46883934

IUPAC4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3C(C)C)c2Cl)cc1
InChIInChI=1S/C23H24ClN5O2/c1-12(2)29-22-20(13(3)27-29)21(24)18(11-25-22)23(30)26-10-16-6-8-17(9-7-16)19-14(4)28-31-15(19)5/h6-9,11-12H,10H2,1-5H3,(H,26,30)
InChIKeySAYLMCYSUXRGDS-UHFFFAOYSA-N
MW437.93 g/mol
LogP5.18
Rot. Bonds5

About 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 46883934) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID46883934
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3C(C)C)c2Cl)cc1
InChIInChI=1S/C23H24ClN5O2/c1-12(2)29-22-20(13(3)27-29)21(24)18(11-25-22)23(30)26-10-16-6-8-17(9-7-16)19-14(4)28-31-15(19)5/h6-9,11-12H,10H2,1-5H3,(H,26,30)
InChIKeySAYLMCYSUXRGDS-UHFFFAOYSA-N
XLogP5.18
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-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-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 46883934) is 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3C(C)C)c2Cl)cc1.
What is the InChIKey of 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is SAYLMCYSUXRGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-12(2)29-22-20(13(3)27-29)21(24)18(11-25-22)23(30)26-10-16-6-8-17(9-7-16)19-14(4)28-31-15(19)5/h6-9,11-12H,10H2,1-5H3,(H,26,30).
What are the key properties of 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46883934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).