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

C23H23N5O — CID 155565769

IUPAC4-[3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccnc3n[nH]c(-c4ccc(N(C)C)cc4)c23)cc1
InChIInChI=1S/C23H23N5O/c1-27(2)18-11-9-16(10-12-18)21-20-19(13-14-24-22(20)26-25-21)15-5-7-17(8-6-15)23(29)28(3)4/h5-14H,1-4H3,(H,24,25,26)
InChIKeyPLMZDZYIWWDPMS-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.06
Rot. Bonds4

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

4-[3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-N,N-dimethylbenzamide (PubChem CID 155565769) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-N,N-dimethylbenzamide
PubChem CID155565769
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-[3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccnc3n[nH]c(-c4ccc(N(C)C)cc4)c23)cc1
InChIInChI=1S/C23H23N5O/c1-27(2)18-11-9-16(10-12-18)21-20-19(13-14-24-22(20)26-25-21)15-5-7-17(8-6-15)23(29)28(3)4/h5-14H,1-4H3,(H,24,25,26)
InChIKeyPLMZDZYIWWDPMS-UHFFFAOYSA-N
XLogP4.06
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-N,N-dimethylbenzamide (CID 155565769) is 4-[3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2ccnc3n[nH]c(-c4ccc(N(C)C)cc4)c23)cc1.
What is the InChIKey of 4-[3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-N,N-dimethylbenzamide?
The InChIKey is PLMZDZYIWWDPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-27(2)18-11-9-16(10-12-18)21-20-19(13-14-24-22(20)26-25-21)15-5-7-17(8-6-15)23(29)28(3)4/h5-14H,1-4H3,(H,24,25,26).
What are the key properties of 4-[3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-N,N-dimethylbenzamide?
4-[3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-N,N-dimethylbenzamide has a molecular weight of 385.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 155565769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).