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

C23H24ClN5O2 — CID 46883998

IUPAC4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCn1nc(C)c2c(Cl)c(C(=O)NCc3ccc(-c4c(C)noc4C)cc3)cnc21
InChIInChI=1S/C23H24ClN5O2/c1-5-10-29-22-20(13(2)27-29)21(24)18(12-25-22)23(30)26-11-16-6-8-17(9-7-16)19-14(3)28-31-15(19)4/h6-9,12H,5,10-11H2,1-4H3,(H,26,30)
InChIKeyTXMWILMYEAUNDM-UHFFFAOYSA-N
MW437.93 g/mol
LogP5.00
Rot. Bonds6

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

4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 46883998) 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-propylpyrazolo[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-propylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID46883998
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-propylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCn1nc(C)c2c(Cl)c(C(=O)NCc3ccc(-c4c(C)noc4C)cc3)cnc21
InChIInChI=1S/C23H24ClN5O2/c1-5-10-29-22-20(13(2)27-29)21(24)18(12-25-22)23(30)26-11-16-6-8-17(9-7-16)19-14(3)28-31-15(19)4/h6-9,12H,5,10-11H2,1-4H3,(H,26,30)
InChIKeyTXMWILMYEAUNDM-UHFFFAOYSA-N
XLogP5.00
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-propylpyrazolo[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-propylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 46883998) is 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propylpyrazolo[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-propylpyrazolo[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-propylpyrazolo[3,4-b]pyridine-5-carboxamide is CCCn1nc(C)c2c(Cl)c(C(=O)NCc3ccc(-c4c(C)noc4C)cc3)cnc21.
What is the InChIKey of 4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is TXMWILMYEAUNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-5-10-29-22-20(13(2)27-29)21(24)18(12-25-22)23(30)26-11-16-6-8-17(9-7-16)19-14(3)28-31-15(19)4/h6-9,12H,5,10-11H2,1-4H3,(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-propylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 5.00, 6 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-propylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46883998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).