4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C18H19ClN4O2 — CID 122457093

IUPAC4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cnc3c(c(C)nn3C)c2Cl)cc1
InChIInChI=1S/C18H19ClN4O2/c1-4-9-25-13-7-5-12(6-8-13)21-18(24)14-10-20-17-15(16(14)19)11(2)22-23(17)3/h5-8,10H,4,9H2,1-3H3,(H,21,24)
InChIKeyJHPFFZJGFQWYAN-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.97
Rot. Bonds5

About 4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 122457093) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID122457093
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cnc3c(c(C)nn3C)c2Cl)cc1
InChIInChI=1S/C18H19ClN4O2/c1-4-9-25-13-7-5-12(6-8-13)21-18(24)14-10-20-17-15(16(14)19)11(2)22-23(17)3/h5-8,10H,4,9H2,1-3H3,(H,21,24)
InChIKeyJHPFFZJGFQWYAN-UHFFFAOYSA-N
XLogP3.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 122457093) is 4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is CCCOc1ccc(NC(=O)c2cnc3c(c(C)nn3C)c2Cl)cc1.
What is the InChIKey of 4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JHPFFZJGFQWYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-4-9-25-13-7-5-12(6-8-13)21-18(24)14-10-20-17-15(16(14)19)11(2)22-23(17)3/h5-8,10H,4,9H2,1-3H3,(H,21,24).
What are the key properties of 4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 122457093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).