1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine

C25H20N4O2 — CID 154218690

IUPAC1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine
SMILESCOc1ccc(-n2nc(N)c3c(-c4ccc(Oc5ccccc5)cc4)cncc32)cc1
InChIInChI=1S/C25H20N4O2/c1-30-19-13-9-18(10-14-19)29-23-16-27-15-22(24(23)25(26)28-29)17-7-11-21(12-8-17)31-20-5-3-2-4-6-20/h2-16H,1H3,(H2,26,28)
InChIKeyITRMRHUPVPWMIE-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.47
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine

1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine (PubChem CID 154218690) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine
PubChem CID154218690
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine
SMILESCOc1ccc(-n2nc(N)c3c(-c4ccc(Oc5ccccc5)cc4)cncc32)cc1
InChIInChI=1S/C25H20N4O2/c1-30-19-13-9-18(10-14-19)29-23-16-27-15-22(24(23)25(26)28-29)17-7-11-21(12-8-17)31-20-5-3-2-4-6-20/h2-16H,1H3,(H2,26,28)
InChIKeyITRMRHUPVPWMIE-UHFFFAOYSA-N
XLogP5.47
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine
CID 154235209
4-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-amine
CID 66927023
1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58975976
3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one
CID 101073862
3-(4-phenoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 167362273
1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine
CID 154293952
2-[[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]methylamino]ethanol
CID 22346955
4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole
CID 10808049
5-[4-[(4-methoxyphenyl)methoxy]phenyl]pyrimidin-4-amine
CID 175815577
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230235

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine (CID 154218690) is 1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine is COc1ccc(-n2nc(N)c3c(-c4ccc(Oc5ccccc5)cc4)cncc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine?
The InChIKey is ITRMRHUPVPWMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-30-19-13-9-18(10-14-19)29-23-16-27-15-22(24(23)25(26)28-29)17-7-11-21(12-8-17)31-20-5-3-2-4-6-20/h2-16H,1H3,(H2,26,28).
What are the key properties of 1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine?
1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine has a molecular weight of 408.46 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine is sourced from PubChem (CID 154218690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).