4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine

C18H20N4O2 — CID 162512313

IUPAC4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc(Oc2cn(C3CC3)nc2C2CCOCC2)c2cc[nH]c2n1
InChIInChI=1S/C18H20N4O2/c1-2-13(1)22-11-16(17(21-22)12-5-9-23-10-6-12)24-15-4-8-20-18-14(15)3-7-19-18/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,19,20)
InChIKeyJHIXXGNJVDUACM-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.78
Rot. Bonds4

About 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine

4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162512313) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID162512313
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc(Oc2cn(C3CC3)nc2C2CCOCC2)c2cc[nH]c2n1
InChIInChI=1S/C18H20N4O2/c1-2-13(1)22-11-16(17(21-22)12-5-9-23-10-6-12)24-15-4-8-20-18-14(15)3-7-19-18/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,19,20)
InChIKeyJHIXXGNJVDUACM-UHFFFAOYSA-N
XLogP3.78
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine (CID 162512313) is 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine is c1cc(Oc2cn(C3CC3)nc2C2CCOCC2)c2cc[nH]c2n1.
What is the InChIKey of 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is JHIXXGNJVDUACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-13(1)22-11-16(17(21-22)12-5-9-23-10-6-12)24-15-4-8-20-18-14(15)3-7-19-18/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,19,20).
What are the key properties of 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine?
4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 324.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162512313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).