5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine

C15H14Cl2N4 — CID 146232496

IUPAC5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine
SMILESCc1nc2ccc(-c3cc(Cl)ncc3Cl)nc2n1C(C)C
InChIInChI=1S/C15H14Cl2N4/c1-8(2)21-9(3)19-13-5-4-12(20-15(13)21)10-6-14(17)18-7-11(10)16/h4-8H,1-3H3
InChIKeyRHFMPMYFZHONSQ-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.69
Rot. Bonds2

About 5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine

5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine (PubChem CID 146232496) has the molecular formula C15H14Cl2N4 and a molecular weight of 321.21 g/mol. Its IUPAC name is 5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine
PubChem CID146232496
Molecular FormulaC15H14Cl2N4
Molecular Weight321.21 g/mol
Exact Mass320.06
IUPAC Name5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine
SMILESCc1nc2ccc(-c3cc(Cl)ncc3Cl)nc2n1C(C)C
InChIInChI=1S/C15H14Cl2N4/c1-8(2)21-9(3)19-13-5-4-12(20-15(13)21)10-6-14(17)18-7-11(10)16/h4-8H,1-3H3
InChIKeyRHFMPMYFZHONSQ-UHFFFAOYSA-N
XLogP4.69
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine (CID 146232496) is 5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine is Cc1nc2ccc(-c3cc(Cl)ncc3Cl)nc2n1C(C)C.
What is the InChIKey of 5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine?
The InChIKey is RHFMPMYFZHONSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4/c1-8(2)21-9(3)19-13-5-4-12(20-15(13)21)10-6-14(17)18-7-11(10)16/h4-8H,1-3H3.
What are the key properties of 5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine?
5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine has a molecular weight of 321.21 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 146232496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).