3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

C18H17N5O2 — CID 66828907

IUPAC3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESc1cc2[nH]nc(-c3ccc4nc[nH]c4c3)c2c(OC2CCOCC2)n1
InChIInChI=1S/C18H17N5O2/c1-2-13-15(21-10-20-13)9-11(1)17-16-14(22-23-17)3-6-19-18(16)25-12-4-7-24-8-5-12/h1-3,6,9-10,12H,4-5,7-8H2,(H,20,21)(H,22,23)
InChIKeyMRLPCYZYUSUYDL-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.06
Rot. Bonds3

About 3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 66828907) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
PubChem CID66828907
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESc1cc2[nH]nc(-c3ccc4nc[nH]c4c3)c2c(OC2CCOCC2)n1
InChIInChI=1S/C18H17N5O2/c1-2-13-15(21-10-20-13)9-11(1)17-16-14(22-23-17)3-6-19-18(16)25-12-4-7-24-8-5-12/h1-3,6,9-10,12H,4-5,7-8H2,(H,20,21)(H,22,23)
InChIKeyMRLPCYZYUSUYDL-UHFFFAOYSA-N
XLogP3.06
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (CID 66828907) is 3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is c1cc2[nH]nc(-c3ccc4nc[nH]c4c3)c2c(OC2CCOCC2)n1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is MRLPCYZYUSUYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-2-13-15(21-10-20-13)9-11(1)17-16-14(22-23-17)3-6-19-18(16)25-12-4-7-24-8-5-12/h1-3,6,9-10,12H,4-5,7-8H2,(H,20,21)(H,22,23).
What are the key properties of 3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 335.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 66828907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).