4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C18H19ClN4O — CID 145130823

IUPAC4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)nn3C(C)C)c2Cl)cc1
InChIInChI=1S/C18H19ClN4O/c1-10(2)23-17-15(12(4)22-23)16(19)14(9-20-17)18(24)21-13-7-5-11(3)6-8-13/h5-10H,1-4H3,(H,21,24)
InChIKeyGHDMSVYHLAMRSP-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.53
Rot. Bonds3

About 4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 145130823) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID145130823
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)nn3C(C)C)c2Cl)cc1
InChIInChI=1S/C18H19ClN4O/c1-10(2)23-17-15(12(4)22-23)16(19)14(9-20-17)18(24)21-13-7-5-11(3)6-8-13/h5-10H,1-4H3,(H,21,24)
InChIKeyGHDMSVYHLAMRSP-UHFFFAOYSA-N
XLogP4.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253078
4-chloro-3-methyl-N-(4-methylphenyl)-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253264
4-chloro-3-methyl-N-(4-methylphenyl)-1-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253088
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784
4-chloro-1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253280
4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253071
4-chloro-1-cyclopentyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458361
4-chloro-N-(3,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627274
4-chloro-N-(4-chlorophenyl)-1-(2-methoxyethyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(2-methoxyethyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(2-methoxyethyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 162108614
4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253287
4-chloro-3-methyl-N-(4-propan-2-ylphenyl)-1-(thian-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458169
4-chloro-N-(4-ethylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423455

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 145130823) is 4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1ccc(NC(=O)c2cnc3c(c(C)nn3C(C)C)c2Cl)cc1.
What is the InChIKey of 4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is GHDMSVYHLAMRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-10(2)23-17-15(12(4)22-23)16(19)14(9-20-17)18(24)21-13-7-5-11(3)6-8-13/h5-10H,1-4H3,(H,21,24).
What are the key properties of 4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 145130823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).