6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

C18H17N7 — CID 139569221

IUPAC6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc(-c2[nH]c(C3CNC3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C18H17N7/c1-11-3-2-4-14(22-11)17-16(23-18(24-17)13-7-19-8-13)12-5-6-15-20-10-21-25(15)9-12/h2-6,9-10,13,19H,7-8H2,1H3,(H,23,24)
InChIKeyRODOVEWFMQRMKS-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.18
Rot. Bonds3

About 6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 139569221) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID139569221
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC Name6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc(-c2[nH]c(C3CNC3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C18H17N7/c1-11-3-2-4-14(22-11)17-16(23-18(24-17)13-7-19-8-13)12-5-6-15-20-10-21-25(15)9-12/h2-6,9-10,13,19H,7-8H2,1H3,(H,23,24)
InChIKeyRODOVEWFMQRMKS-UHFFFAOYSA-N
XLogP2.18
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 139569221) is 6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccc(-c2[nH]c(C3CNC3)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RODOVEWFMQRMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c1-11-3-2-4-14(22-11)17-16(23-18(24-17)13-7-19-8-13)12-5-6-15-20-10-21-25(15)9-12/h2-6,9-10,13,19H,7-8H2,1H3,(H,23,24).
What are the key properties of 6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 331.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(azetidin-3-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 139569221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).