N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C18H19ClN4O2 — CID 42959831

IUPACN-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NCC(O)c1cccc(Cl)c1)c(C)nn2C
InChIInChI=1S/C18H19ClN4O2/c1-10-15(8-14-11(2)22-23(3)17(14)21-10)18(25)20-9-16(24)12-5-4-6-13(19)7-12/h4-8,16,24H,9H2,1-3H3,(H,20,25)
InChIKeyHXYXRCGBHWGRRE-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.70
Rot. Bonds4

About N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 42959831) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID42959831
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NCC(O)c1cccc(Cl)c1)c(C)nn2C
InChIInChI=1S/C18H19ClN4O2/c1-10-15(8-14-11(2)22-23(3)17(14)21-10)18(25)20-9-16(24)12-5-4-6-13(19)7-12/h4-8,16,24H,9H2,1-3H3,(H,20,25)
InChIKeyHXYXRCGBHWGRRE-UHFFFAOYSA-N
XLogP2.70
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[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

Related Compounds

N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37028631
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 94184797
N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46446216
N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37031751
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42955667
(2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 119366419
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 37025261
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725997
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998
1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46597159
2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 167936768
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 46480430

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 42959831) is N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cc1C(=O)NCC(O)c1cccc(Cl)c1)c(C)nn2C.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is HXYXRCGBHWGRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-10-15(8-14-11(2)22-23(3)17(14)21-10)18(25)20-9-16(24)12-5-4-6-13(19)7-12/h4-8,16,24H,9H2,1-3H3,(H,20,25).
What are the key properties of N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 42959831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).