3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine

C17H12Cl2N6 — CID 141449955

IUPAC3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2)cc1-c1ncc(-c2c(Cl)cccc2Cl)[nH]1
InChIInChI=1S/C17H12Cl2N6/c18-12-2-1-3-13(19)15(12)14-8-22-17(25-14)11-4-9(5-21-16(11)20)10-6-23-24-7-10/h1-8H,(H2,20,21)(H,22,25)(H,23,24)
InChIKeyFFOPNGVUXNFAGD-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.42
Rot. Bonds3

About 3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine

3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 141449955) has the molecular formula C17H12Cl2N6 and a molecular weight of 371.23 g/mol. Its IUPAC name is 3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID141449955
Molecular FormulaC17H12Cl2N6
Molecular Weight371.23 g/mol
Exact Mass370.05
IUPAC Name3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2)cc1-c1ncc(-c2c(Cl)cccc2Cl)[nH]1
InChIInChI=1S/C17H12Cl2N6/c18-12-2-1-3-13(19)15(12)14-8-22-17(25-14)11-4-9(5-21-16(11)20)10-6-23-24-7-10/h1-8H,(H2,20,21)(H,22,25)(H,23,24)
InChIKeyFFOPNGVUXNFAGD-UHFFFAOYSA-N
XLogP4.42
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine (CID 141449955) is 3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cn[nH]c2)cc1-c1ncc(-c2c(Cl)cccc2Cl)[nH]1.
What is the InChIKey of 3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is FFOPNGVUXNFAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N6/c18-12-2-1-3-13(19)15(12)14-8-22-17(25-14)11-4-9(5-21-16(11)20)10-6-23-24-7-10/h1-8H,(H2,20,21)(H,22,25)(H,23,24).
What are the key properties of 3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 371.23 g/mol, XLogP of 4.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-dichlorophenyl)-1H-imidazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 141449955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).