4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine

C21H19N5O2 — CID 66828987

IUPAC4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
SMILESc1cc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)ccn1
InChIInChI=1S/C21H19N5O2/c1-7-22-8-2-14(1)18-13-15(3-9-23-18)20-19-17(25-26-20)4-10-24-21(19)28-16-5-11-27-12-6-16/h1-4,7-10,13,16H,5-6,11-12H2,(H,25,26)
InChIKeyCLWMUUVKZLAWFR-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.64
Rot. Bonds4

About 4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine

4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 66828987) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
PubChem CID66828987
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
SMILESc1cc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)ccn1
InChIInChI=1S/C21H19N5O2/c1-7-22-8-2-14(1)18-13-15(3-9-23-18)20-19-17(25-26-20)4-10-24-21(19)28-16-5-11-27-12-6-16/h1-4,7-10,13,16H,5-6,11-12H2,(H,25,26)
InChIKeyCLWMUUVKZLAWFR-UHFFFAOYSA-N
XLogP3.64
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine (CID 66828987) is 4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine is c1cc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)ccn1.
What is the InChIKey of 4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is CLWMUUVKZLAWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-7-22-8-2-14(1)18-13-15(3-9-23-18)20-19-17(25-26-20)4-10-24-21(19)28-16-5-11-27-12-6-16/h1-4,7-10,13,16H,5-6,11-12H2,(H,25,26).
What are the key properties of 4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 373.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)-3-(2-pyridin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 66828987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).