N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C22H20N4O4 — CID 39006868

IUPACN-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)cc1
InChIInChI=1S/C22H20N4O4/c1-13-12-16(19-20(23-13)26(2)25-22(19)28)21(27)24-14-8-10-15(11-9-14)30-18-7-5-4-6-17(18)29-3/h4-12H,1-3H3,(H,24,27)(H,25,28)
InChIKeyYTXMNZSNFRLOKM-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.62
Rot. Bonds5

About N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 39006868) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID39006868
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)cc1
InChIInChI=1S/C22H20N4O4/c1-13-12-16(19-20(23-13)26(2)25-22(19)28)21(27)24-14-8-10-15(11-9-14)30-18-7-5-4-6-17(18)29-3/h4-12H,1-3H3,(H,24,27)(H,25,28)
InChIKeyYTXMNZSNFRLOKM-UHFFFAOYSA-N
XLogP3.62
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 39006868) is N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is COc1ccccc1Oc1ccc(NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)cc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is YTXMNZSNFRLOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-13-12-16(19-20(23-13)26(2)25-22(19)28)21(27)24-14-8-10-15(11-9-14)30-18-7-5-4-6-17(18)29-3/h4-12H,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 39006868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).