N-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide

C23H23N5OS — CID 44522184

IUPACN-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCN(C(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12)C1CCCCC1
InChIInChI=1S/C23H23N5OS/c1-27(16-8-3-2-4-9-16)23(29)21-20-17(18-10-7-15-30-18)12-14-25-22(20)28(26-21)19-11-5-6-13-24-19/h5-7,10-16H,2-4,8-9H2,1H3
InChIKeyQHVFGKMQPITJKL-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.95
Rot. Bonds4

About N-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide

N-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 44522184) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID44522184
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC NameN-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCN(C(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12)C1CCCCC1
InChIInChI=1S/C23H23N5OS/c1-27(16-8-3-2-4-9-16)23(29)21-20-17(18-10-7-15-30-18)12-14-25-22(20)28(26-21)19-11-5-6-13-24-19/h5-7,10-16H,2-4,8-9H2,1H3
InChIKeyQHVFGKMQPITJKL-UHFFFAOYSA-N
XLogP4.95
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide (CID 44522184) is N-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide is CN(C(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is QHVFGKMQPITJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-27(16-8-3-2-4-9-16)23(29)21-20-17(18-10-7-15-30-18)12-14-25-22(20)28(26-21)19-11-5-6-13-24-19/h5-7,10-16H,2-4,8-9H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide?
N-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 417.54 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 44522184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).