3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine

C18H15Cl2N5 — CID 67806986

IUPAC3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine
SMILESCc1nccn1CCn1nc(-c2ccc(Cl)c(Cl)c2)c2cnccc21
InChIInChI=1S/C18H15Cl2N5/c1-12-22-6-7-24(12)8-9-25-17-4-5-21-11-14(17)18(23-25)13-2-3-15(19)16(20)10-13/h2-7,10-11H,8-9H2,1H3
InChIKeyXBJAVYLZUINWMX-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.61
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine

3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine (PubChem CID 67806986) has the molecular formula C18H15Cl2N5 and a molecular weight of 372.26 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine
PubChem CID67806986
Molecular FormulaC18H15Cl2N5
Molecular Weight372.26 g/mol
Exact Mass371.07
IUPAC Name3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine
SMILESCc1nccn1CCn1nc(-c2ccc(Cl)c(Cl)c2)c2cnccc21
InChIInChI=1S/C18H15Cl2N5/c1-12-22-6-7-24(12)8-9-25-17-4-5-21-11-14(17)18(23-25)13-2-3-15(19)16(20)10-13/h2-7,10-11H,8-9H2,1H3
InChIKeyXBJAVYLZUINWMX-UHFFFAOYSA-N
XLogP4.61
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine (CID 67806986) is 3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine is Cc1nccn1CCn1nc(-c2ccc(Cl)c(Cl)c2)c2cnccc21.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine?
The InChIKey is XBJAVYLZUINWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5/c1-12-22-6-7-24(12)8-9-25-17-4-5-21-11-14(17)18(23-25)13-2-3-15(19)16(20)10-13/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine?
3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine has a molecular weight of 372.26 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 67806986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).