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

C19H19N5O2 — CID 66825559

IUPAC3-(1-methylbenzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCn1cnc2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccc21
InChIInChI=1S/C19H19N5O2/c1-24-11-21-15-10-12(2-3-16(15)24)18-17-14(22-23-18)4-7-20-19(17)26-13-5-8-25-9-6-13/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,22,23)
InChIKeyYYUFFJIXDBFBOB-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.07
Rot. Bonds3

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

3-(1-methylbenzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 66825559) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(1-methylbenzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(1-methylbenzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
PubChem CID66825559
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-(1-methylbenzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCn1cnc2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccc21
InChIInChI=1S/C19H19N5O2/c1-24-11-21-15-10-12(2-3-16(15)24)18-17-14(22-23-18)4-7-20-19(17)26-13-5-8-25-9-6-13/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,22,23)
InChIKeyYYUFFJIXDBFBOB-UHFFFAOYSA-N
XLogP3.07
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylbenzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(1-methylbenzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (CID 66825559) is 3-(1-methylbenzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(1-methylbenzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(1-methylbenzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is Cn1cnc2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccc21.
What is the InChIKey of 3-(1-methylbenzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is YYUFFJIXDBFBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-24-11-21-15-10-12(2-3-16(15)24)18-17-14(22-23-18)4-7-20-19(17)26-13-5-8-25-9-6-13/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,22,23).
What are the key properties of 3-(1-methylbenzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
3-(1-methylbenzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 349.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylbenzimidazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 66825559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).