3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C22H20Cl2FN7 — CID 141449973

IUPAC3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1ncc(-c2c(Cl)ccc(F)c2Cl)[nH]1
InChIInChI=1S/C22H20Cl2FN7/c23-16-1-2-17(25)20(24)19(16)18-10-29-22(31-18)15-7-12(8-28-21(15)26)13-9-30-32(11-13)14-3-5-27-6-4-14/h1-2,7-11,14,27H,3-6H2,(H2,26,28)(H,29,31)
InChIKeyIZPREPADLRUOSH-UHFFFAOYSA-N
MW472.36 g/mol
LogP4.95
Rot. Bonds4

About 3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 141449973) has the molecular formula C22H20Cl2FN7 and a molecular weight of 472.36 g/mol. Its IUPAC name is 3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID141449973
Molecular FormulaC22H20Cl2FN7
Molecular Weight472.36 g/mol
Exact Mass471.11
IUPAC Name3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1ncc(-c2c(Cl)ccc(F)c2Cl)[nH]1
InChIInChI=1S/C22H20Cl2FN7/c23-16-1-2-17(25)20(24)19(16)18-10-29-22(31-18)15-7-12(8-28-21(15)26)13-9-30-32(11-13)14-3-5-27-6-4-14/h1-2,7-11,14,27H,3-6H2,(H2,26,28)(H,29,31)
InChIKeyIZPREPADLRUOSH-UHFFFAOYSA-N
XLogP4.95
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.36
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 123430712
3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 118110202
3-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 118110200
3-[2-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 123322795
5-(1-piperidin-4-ylpyrazol-4-yl)-3-[(1S)-1,2,2,2-tetradeuterio-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 72704813
3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 67521365
[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 86269799
3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 146185142
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 158674687
3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 25259435
3-[1-(2-chloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 175673274
6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one
CID 50923878

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 141449973) is 3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1ncc(-c2c(Cl)ccc(F)c2Cl)[nH]1.
What is the InChIKey of 3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is IZPREPADLRUOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2FN7/c23-16-1-2-17(25)20(24)19(16)18-10-29-22(31-18)15-7-12(8-28-21(15)26)13-9-30-32(11-13)14-3-5-27-6-4-14/h1-2,7-11,14,27H,3-6H2,(H2,26,28)(H,29,31).
What are the key properties of 3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 472.36 g/mol, XLogP of 4.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-dichloro-3-fluorophenyl)-1H-imidazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 141449973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).