6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine

C18H18ClN7O — CID 138379098

IUPAC6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine
SMILESCn1cc(-n2nc(C3CCOCC3)nc2-c2cn3cc(Cl)ccc3n2)cn1
InChIInChI=1S/C18H18ClN7O/c1-24-10-14(8-20-24)26-18(22-17(23-26)12-4-6-27-7-5-12)15-11-25-9-13(19)2-3-16(25)21-15/h2-3,8-12H,4-7H2,1H3
InChIKeyITBYQJVRFMTDTH-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.86
Rot. Bonds3

About 6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine

6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine (PubChem CID 138379098) has the molecular formula C18H18ClN7O and a molecular weight of 383.84 g/mol. Its IUPAC name is 6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine
PubChem CID138379098
Molecular FormulaC18H18ClN7O
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC Name6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine
SMILESCn1cc(-n2nc(C3CCOCC3)nc2-c2cn3cc(Cl)ccc3n2)cn1
InChIInChI=1S/C18H18ClN7O/c1-24-10-14(8-20-24)26-18(22-17(23-26)12-4-6-27-7-5-12)15-11-25-9-13(19)2-3-16(25)21-15/h2-3,8-12H,4-7H2,1H3
InChIKeyITBYQJVRFMTDTH-UHFFFAOYSA-N
XLogP2.86
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine (CID 138379098) is 6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine is Cn1cc(-n2nc(C3CCOCC3)nc2-c2cn3cc(Cl)ccc3n2)cn1.
What is the InChIKey of 6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine?
The InChIKey is ITBYQJVRFMTDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7O/c1-24-10-14(8-20-24)26-18(22-17(23-26)12-4-6-27-7-5-12)15-11-25-9-13(19)2-3-16(25)21-15/h2-3,8-12H,4-7H2,1H3.
What are the key properties of 6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine?
6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine has a molecular weight of 383.84 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 138379098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).