7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine

C26H23N5O — CID 50997405

IUPAC7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine
SMILESCN(C)c1ccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c23)cc1
InChIInChI=1S/C26H23N5O/c1-31(2)19-12-8-18(9-13-19)24-25-23(26(27)30-29-25)22(16-28-24)17-10-14-21(15-11-17)32-20-6-4-3-5-7-20/h3-16H,1-2H3,(H3,27,29,30)
InChIKeyOTMYIIVTAWDKDN-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.73
Rot. Bonds5

About 7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine

7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine (PubChem CID 50997405) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine.

Molecular Properties

Compound Name7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine
PubChem CID50997405
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine
SMILESCN(C)c1ccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c23)cc1
InChIInChI=1S/C26H23N5O/c1-31(2)19-12-8-18(9-13-19)24-25-23(26(27)30-29-25)22(16-28-24)17-10-14-21(15-11-17)32-20-6-4-3-5-7-20/h3-16H,1-2H3,(H3,27,29,30)
InChIKeyOTMYIIVTAWDKDN-UHFFFAOYSA-N
XLogP5.73
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]methyl]acetamide
CID 50997596
6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 67574938
4-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)-1H-pyrazolo[4,5-c]pyridin-3-amine
CID 71015108
3-amino-2-[3-(dimethylamino)phenyl]-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083600
2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile
CID 154396472
4-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-amine
CID 66927023
4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide
CID 67574988
7-N-(2-methylphenyl)-4-(3-propan-2-yloxyphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine
CID 50995265
5-chloro-3-(4-phenoxyphenyl)pyridin-2-amine
CID 66748130
7-iodo-3-(4-phenoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-amine
CID 18450877
3-amino-2-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083599
3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide
CID 129083484

Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine?
The IUPAC name of 7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine (CID 50997405) is 7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine.
What is the SMILES notation for 7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine?
The canonical SMILES for 7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine is CN(C)c1ccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c23)cc1.
What is the InChIKey of 7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine?
The InChIKey is OTMYIIVTAWDKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-31(2)19-12-8-18(9-13-19)24-25-23(26(27)30-29-25)22(16-28-24)17-10-14-21(15-11-17)32-20-6-4-3-5-7-20/h3-16H,1-2H3,(H3,27,29,30).
What are the key properties of 7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine?
7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine has a molecular weight of 421.50 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine is sourced from PubChem (CID 50997405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).