1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine

C18H13ClN4 — CID 162402105

IUPAC1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine
SMILESClc1cccc(-n2nc(Nc3ccccc3)c3cccnc32)c1
InChIInChI=1S/C18H13ClN4/c19-13-6-4-9-15(12-13)23-18-16(10-5-11-20-18)17(22-23)21-14-7-2-1-3-8-14/h1-12H,(H,21,22)
InChIKeyDKRULDAYJWZGJN-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.82
Rot. Bonds3

About 1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine

1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine (PubChem CID 162402105) has the molecular formula C18H13ClN4 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine
PubChem CID162402105
Molecular FormulaC18H13ClN4
Molecular Weight320.78 g/mol
Exact Mass320.08
IUPAC Name1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine
SMILESClc1cccc(-n2nc(Nc3ccccc3)c3cccnc32)c1
InChIInChI=1S/C18H13ClN4/c19-13-6-4-9-15(12-13)23-18-16(10-5-11-20-18)17(22-23)21-14-7-2-1-3-8-14/h1-12H,(H,21,22)
InChIKeyDKRULDAYJWZGJN-UHFFFAOYSA-N
XLogP4.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476368
2-anilino-1-phenyl-1,8-naphthyridin-4-one
CID 141067621
1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one
CID 1483570
3-(4-chlorophenyl)-1-(3-methoxyphenyl)pyrazolo[5,4-b]pyridine
CID 139754198
1-(3-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017293
3-bromo-1-(3-chlorophenyl)-4-hydroxy-1,8-naphthyridin-2-one
CID 54706809
2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 10400502
3-[3-(3-chloroanilino)-5-methoxyindazol-1-yl]benzaldehyde
CID 25097509
3-bromo-1-(3-chloro-4-fluorophenyl)pyrazolo[5,4-b]pyridine
CID 84607425
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727016
2-N,3-N-diphenylpyridine-2,3-diamine
CID 161485713

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine (CID 162402105) is 1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine is Clc1cccc(-n2nc(Nc3ccccc3)c3cccnc32)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is DKRULDAYJWZGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4/c19-13-6-4-9-15(12-13)23-18-16(10-5-11-20-18)17(22-23)21-14-7-2-1-3-8-14/h1-12H,(H,21,22).
What are the key properties of 1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine?
1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 320.78 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 162402105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).