4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide

C22H20N4O2 — CID 59836016

IUPAC4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3ccc(C(=O)N(C)C)cc3)cc12
InChIInChI=1S/C22H20N4O2/c1-26(2)22(27)15-10-8-14(9-11-15)16-12-18-20(24-25-21(18)23-13-16)17-6-4-5-7-19(17)28-3/h4-13H,1-3H3,(H,23,24,25)
InChIKeyOKIORMZRYZQKDN-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.00
Rot. Bonds4

About 4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide

4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide (PubChem CID 59836016) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
PubChem CID59836016
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3ccc(C(=O)N(C)C)cc3)cc12
InChIInChI=1S/C22H20N4O2/c1-26(2)22(27)15-10-8-14(9-11-15)16-12-18-20(24-25-21(18)23-13-16)17-6-4-5-7-19(17)28-3/h4-13H,1-3H3,(H,23,24,25)
InChIKeyOKIORMZRYZQKDN-UHFFFAOYSA-N
XLogP4.00
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide (CID 59836016) is 4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide is COc1ccccc1-c1[nH]nc2ncc(-c3ccc(C(=O)N(C)C)cc3)cc12.
What is the InChIKey of 4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The InChIKey is OKIORMZRYZQKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-26(2)22(27)15-10-8-14(9-11-15)16-12-18-20(24-25-21(18)23-13-16)17-6-4-5-7-19(17)28-3/h4-13H,1-3H3,(H,23,24,25).
What are the key properties of 4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide?
4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide has a molecular weight of 372.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59836016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).