6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine

C25H20N4O — CID 67574938

IUPAC6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESCc1cccc(-c2cc3[nH]nc(N)c3c(-c3ccc(Oc4ccccc4)cc3)n2)c1
InChIInChI=1S/C25H20N4O/c1-16-6-5-7-18(14-16)21-15-22-23(25(26)29-28-22)24(27-21)17-10-12-20(13-11-17)30-19-8-3-2-4-9-19/h2-15H,1H3,(H3,26,28,29)
InChIKeyOLQKGQXBQKRLAG-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.97
Rot. Bonds4

About 6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine

6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 67574938) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine
PubChem CID67574938
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESCc1cccc(-c2cc3[nH]nc(N)c3c(-c3ccc(Oc4ccccc4)cc3)n2)c1
InChIInChI=1S/C25H20N4O/c1-16-6-5-7-18(14-16)21-15-22-23(25(26)29-28-22)24(27-21)17-10-12-20(13-11-17)30-19-8-3-2-4-9-19/h2-15H,1H3,(H3,26,28,29)
InChIKeyOLQKGQXBQKRLAG-UHFFFAOYSA-N
XLogP5.97
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzamide
CID 67574988
2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile
CID 154396472
2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide
CID 50996170
3-[[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]amino]benzaldehyde
CID 89189052
7-[4-(dimethylamino)phenyl]-4-(4-phenoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-3-amine
CID 50997405
1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene
CID 134391841
4-(4-methoxyphenyl)-1H-indazol-3-amine
CID 118046988
2-[(3R)-3-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]piperidine-1-carbonyl]-4-methylpent-2-enenitrile
CID 71015237
2-[(3S)-3-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]piperidine-1-carbonyl]-3-cyclopropylprop-2-enenitrile
CID 140638806
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235
2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid
CID 154276679
4-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-amine
CID 66927023

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine (CID 67574938) is 6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine is Cc1cccc(-c2cc3[nH]nc(N)c3c(-c3ccc(Oc4ccccc4)cc3)n2)c1.
What is the InChIKey of 6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is OLQKGQXBQKRLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-16-6-5-7-18(14-16)21-15-22-23(25(26)29-28-22)24(27-21)17-10-12-20(13-11-17)30-19-8-3-2-4-9-19/h2-15H,1H3,(H3,26,28,29).
What are the key properties of 6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine?
6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 392.46 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 67574938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).