N-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide

C19H21ClN4O — CID 134004012

IUPACN-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccc(Cl)cc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C19H21ClN4O/c1-11-10-16(17-12(2)22-24(5)18(17)21-11)19(25)23(4)13(3)14-6-8-15(20)9-7-14/h6-10,13H,1-5H3
InChIKeyKZVDGKRQNJTANJ-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.07
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 134004012) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID134004012
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccc(Cl)cc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C19H21ClN4O/c1-11-10-16(17-12(2)22-24(5)18(17)21-11)19(25)23(4)13(3)14-6-8-15(20)9-7-14/h6-10,13H,1-5H3
InChIKeyKZVDGKRQNJTANJ-UHFFFAOYSA-N
XLogP4.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 134004012) is N-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)C(C)c2ccc(Cl)cc2)c2c(C)nn(C)c2n1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is KZVDGKRQNJTANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-11-10-16(17-12(2)22-24(5)18(17)21-11)19(25)23(4)13(3)14-6-8-15(20)9-7-14/h6-10,13H,1-5H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 356.86 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134004012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).