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

C24H17BrN4O — CID 154293952

IUPAC1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1nn(-c2cccc(Br)c2)c2ccnc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C24H17BrN4O/c25-17-5-4-6-18(15-17)29-21-13-14-27-23(22(21)24(26)28-29)16-9-11-20(12-10-16)30-19-7-2-1-3-8-19/h1-15H,(H2,26,28)
InChIKeyYOKOBUVDJNJLLV-UHFFFAOYSA-N
MW457.33 g/mol
LogP6.22
Rot. Bonds4

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

1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 154293952) has the molecular formula C24H17BrN4O and a molecular weight of 457.33 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine
PubChem CID154293952
Molecular FormulaC24H17BrN4O
Molecular Weight457.33 g/mol
Exact Mass456.06
IUPAC Name1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1nn(-c2cccc(Br)c2)c2ccnc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C24H17BrN4O/c25-17-5-4-6-18(15-17)29-21-13-14-27-23(22(21)24(26)28-29)16-9-11-20(12-10-16)30-19-7-2-1-3-8-19/h1-15H,(H2,26,28)
InChIKeyYOKOBUVDJNJLLV-UHFFFAOYSA-N
XLogP6.22
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.33
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-amino-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]-morpholin-4-ylmethanone
CID 154272317
1-(4-aminophenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-3-amine
CID 154235209
4-(3-bromophenyl)-5-(4-phenoxyphenyl)-2H-triazole
CID 174933941
1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine
CID 154275938
1-(4-methoxyphenyl)-4-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-amine
CID 154218690
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
1-(3-bromophenyl)-5-fluoropyrazol-4-amine
CID 115047671
3-(4-phenoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 167362273
N-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclobutyl]but-2-ynamide
CID 155578921
1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine
CID 43542754
2-[[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]methylamino]ethanol
CID 22346955
1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine
CID 43542770

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine (CID 154293952) is 1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine is Nc1nn(-c2cccc(Br)c2)c2ccnc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is YOKOBUVDJNJLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN4O/c25-17-5-4-6-18(15-17)29-21-13-14-27-23(22(21)24(26)28-29)16-9-11-20(12-10-16)30-19-7-2-1-3-8-19/h1-15H,(H2,26,28).
What are the key properties of 1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine?
1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 457.33 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 154293952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).