[3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

C23H22N6O4 — CID 11517955

IUPAC[3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ncc(-c2[nH]nc3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)c(OC)n1
InChIInChI=1S/C23H22N6O4/c1-31-21-18(13-25-23(26-21)32-2)19-17-11-16(12-24-20(17)28-27-19)14-4-3-5-15(10-14)22(30)29-6-8-33-9-7-29/h3-5,10-13H,6-9H2,1-2H3,(H,24,27,28)
InChIKeyJAOHRKOIVJJNQU-UHFFFAOYSA-N
MW446.47 g/mol
LogP2.57
Rot. Bonds5

About [3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

[3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 11517955) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is [3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID11517955
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC Name[3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ncc(-c2[nH]nc3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)c(OC)n1
InChIInChI=1S/C23H22N6O4/c1-31-21-18(13-25-23(26-21)32-2)19-17-11-16(12-24-20(17)28-27-19)14-4-3-5-15(10-14)22(30)29-6-8-33-9-7-29/h3-5,10-13H,6-9H2,1-2H3,(H,24,27,28)
InChIKeyJAOHRKOIVJJNQU-UHFFFAOYSA-N
XLogP2.57
TPSA115.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (CID 11517955) is [3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is COc1ncc(-c2[nH]nc3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)c(OC)n1.
What is the InChIKey of [3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is JAOHRKOIVJJNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-31-21-18(13-25-23(26-21)32-2)19-17-11-16(12-24-20(17)28-27-19)14-4-3-5-15(10-14)22(30)29-6-8-33-9-7-29/h3-5,10-13H,6-9H2,1-2H3,(H,24,27,28).
What are the key properties of [3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
[3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 446.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2,4-dimethoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11517955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).