6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C24H25N5OS — CID 56556056

IUPAC6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCC(C)C3)cc2)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C24H25N5OS/c1-16-9-10-28(14-16)19-7-5-18(6-8-19)27-24(30)21-12-17(2)26-23-22(21)13-25-29(23)15-20-4-3-11-31-20/h3-8,11-13,16H,9-10,14-15H2,1-2H3,(H,27,30)
InChIKeyVNYVNJZBDFBXPP-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.95
Rot. Bonds5

About 6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 56556056) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is 6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID56556056
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC Name6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCC(C)C3)cc2)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C24H25N5OS/c1-16-9-10-28(14-16)19-7-5-18(6-8-19)27-24(30)21-12-17(2)26-23-22(21)13-25-29(23)15-20-4-3-11-31-20/h3-8,11-13,16H,9-10,14-15H2,1-2H3,(H,27,30)
InChIKeyVNYVNJZBDFBXPP-UHFFFAOYSA-N
XLogP4.95
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55545374
6-methyl-N-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31408232
6-methyl-N,1-bis(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32656426
N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55554757
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55847628
N-(5-acetamido-2-fluorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55551539
N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78847082
N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55545378
6-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55660500
6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55554693
N-(2-ethoxy-3-pyridinyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55678754
N-cyclopropyl-2-[4-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2-oxoacetamide
CID 55800358

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 56556056) is 6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CCC(C)C3)cc2)c2cnn(Cc3cccs3)c2n1.
What is the InChIKey of 6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is VNYVNJZBDFBXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-16-9-10-28(14-16)19-7-5-18(6-8-19)27-24(30)21-12-17(2)26-23-22(21)13-25-29(23)15-20-4-3-11-31-20/h3-8,11-13,16H,9-10,14-15H2,1-2H3,(H,27,30).
What are the key properties of 6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 431.57 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 56556056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).