2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine

C16H16Cl2N6 — CID 162670681

IUPAC2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(N3CCN(c4cnc(Cl)c(Cl)c4)CC3)[nH]c2c1
InChIInChI=1S/C16H16Cl2N6/c1-10-6-13-15(20-8-10)22-16(21-13)24-4-2-23(3-5-24)11-7-12(17)14(18)19-9-11/h6-9H,2-5H2,1H3,(H,20,21,22)
InChIKeyFQHMPHHYHOYHLY-UHFFFAOYSA-N
MW363.25 g/mol
LogP3.29
Rot. Bonds2

About 2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine

2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 162670681) has the molecular formula C16H16Cl2N6 and a molecular weight of 363.25 g/mol. Its IUPAC name is 2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID162670681
Molecular FormulaC16H16Cl2N6
Molecular Weight363.25 g/mol
Exact Mass362.08
IUPAC Name2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(N3CCN(c4cnc(Cl)c(Cl)c4)CC3)[nH]c2c1
InChIInChI=1S/C16H16Cl2N6/c1-10-6-13-15(20-8-10)22-16(21-13)24-4-2-23(3-5-24)11-7-12(17)14(18)19-9-11/h6-9H,2-5H2,1H3,(H,20,21,22)
InChIKeyFQHMPHHYHOYHLY-UHFFFAOYSA-N
XLogP3.29
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine (CID 162670681) is 2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine is Cc1cnc2nc(N3CCN(c4cnc(Cl)c(Cl)c4)CC3)[nH]c2c1.
What is the InChIKey of 2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is FQHMPHHYHOYHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N6/c1-10-6-13-15(20-8-10)22-16(21-13)24-4-2-23(3-5-24)11-7-12(17)14(18)19-9-11/h6-9H,2-5H2,1H3,(H,20,21,22).
What are the key properties of 2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine?
2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 363.25 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dichloro-3-pyridinyl)piperazin-1-yl]-6-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 162670681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).