4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

C21H17ClN4O2 — CID 7423439

IUPAC4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1Cl
InChIInChI=1S/C21H17ClN4O2/c1-13-18-19(22)15(21(27)24-16-10-6-7-11-17(16)28-2)12-23-20(18)26(25-13)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,24,27)
InChIKeyHGLGPXJDFKTWNQ-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.64
Rot. Bonds4

About 4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 7423439) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID7423439
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1Cl
InChIInChI=1S/C21H17ClN4O2/c1-13-18-19(22)15(21(27)24-16-10-6-7-11-17(16)28-2)12-23-20(18)26(25-13)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,24,27)
InChIKeyHGLGPXJDFKTWNQ-UHFFFAOYSA-N
XLogP4.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-methyl-N-(2-nitrophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626691
4-chloro-3-methyl-N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627315
4-chloro-N-(4-ethylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423455
4-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626738
4-chloro-3-methyl-N-(4-nitrophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626693
4-chloro-3-methyl-1-phenyl-N-(1-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43996622
4-chloro-3-methyl-N-(2-methylpropyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626606
4-chloro-3-methyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626683
4-chloro-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626634
N-[(2R)-butan-2-yl]-4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626608
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784
4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(3-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626977

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 7423439) is 4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccccc1NC(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1Cl.
What is the InChIKey of 4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is HGLGPXJDFKTWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-13-18-19(22)15(21(27)24-16-10-6-7-11-17(16)28-2)12-23-20(18)26(25-13)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,24,27).
What are the key properties of 4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 7423439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).