N-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C20H23ClN4O — CID 55587213

IUPACN-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1cc2cnn(C(C)C)c2nc1C
InChIInChI=1S/C20H23ClN4O/c1-5-24(12-15-8-6-7-9-18(15)21)20(26)17-10-16-11-22-25(13(2)3)19(16)23-14(17)4/h6-11,13H,5,12H2,1-4H3
InChIKeyBGWHKHUNZGIFGO-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.64
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 55587213) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID55587213
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC NameN-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1cc2cnn(C(C)C)c2nc1C
InChIInChI=1S/C20H23ClN4O/c1-5-24(12-15-8-6-7-9-18(15)21)20(26)17-10-16-11-22-25(13(2)3)19(16)23-14(17)4/h6-11,13H,5,12H2,1-4H3
InChIKeyBGWHKHUNZGIFGO-UHFFFAOYSA-N
XLogP4.64
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 55587213) is N-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CCN(Cc1ccccc1Cl)C(=O)c1cc2cnn(C(C)C)c2nc1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is BGWHKHUNZGIFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-5-24(12-15-8-6-7-9-18(15)21)20(26)17-10-16-11-22-25(13(2)3)19(16)23-14(17)4/h6-11,13H,5,12H2,1-4H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 55587213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).