4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

C23H19ClN4O — CID 122457802

IUPAC4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C4CC4)cc3)c(Cl)c12
InChIInChI=1S/C23H19ClN4O/c1-14-20-21(24)19(13-25-22(20)28(27-14)18-5-3-2-4-6-18)23(29)26-17-11-9-16(10-12-17)15-7-8-15/h2-6,9-13,15H,7-8H2,1H3,(H,26,29)
InChIKeyJBYGYWCBXHOREQ-UHFFFAOYSA-N
MW402.89 g/mol
LogP5.51
Rot. Bonds4

About 4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 122457802) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID122457802
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C4CC4)cc3)c(Cl)c12
InChIInChI=1S/C23H19ClN4O/c1-14-20-21(24)19(13-25-22(20)28(27-14)18-5-3-2-4-6-18)23(29)26-17-11-9-16(10-12-17)15-7-8-15/h2-6,9-13,15H,7-8H2,1H3,(H,26,29)
InChIKeyJBYGYWCBXHOREQ-UHFFFAOYSA-N
XLogP5.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.89
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 122457802) is 4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C4CC4)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JBYGYWCBXHOREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c1-14-20-21(24)19(13-25-22(20)28(27-14)18-5-3-2-4-6-18)23(29)26-17-11-9-16(10-12-17)15-7-8-15/h2-6,9-13,15H,7-8H2,1H3,(H,26,29).
What are the key properties of 4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 402.89 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-cyclopropylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 122457802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).