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

C20H23N5O2 — CID 66829097

IUPAC4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
SMILESc1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(N2CCCC2)n1
InChIInChI=1S/C20H23N5O2/c1-2-10-25(9-1)17-13-14(3-7-21-17)19-18-16(23-24-19)4-8-22-20(18)27-15-5-11-26-12-6-15/h3-4,7-8,13,15H,1-2,5-6,9-12H2,(H,23,24)
InChIKeyAOEBFKZJGQPEOC-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.18
Rot. Bonds4

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

4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 66829097) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
PubChem CID66829097
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine
SMILESc1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(N2CCCC2)n1
InChIInChI=1S/C20H23N5O2/c1-2-10-25(9-1)17-13-14(3-7-21-17)19-18-16(23-24-19)4-8-22-20(18)27-15-5-11-26-12-6-15/h3-4,7-8,13,15H,1-2,5-6,9-12H2,(H,23,24)
InChIKeyAOEBFKZJGQPEOC-UHFFFAOYSA-N
XLogP3.18
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.18
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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine (CID 66829097) is 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine is c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc(N2CCCC2)n1.
What is the InChIKey of 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is AOEBFKZJGQPEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-2-10-25(9-1)17-13-14(3-7-21-17)19-18-16(23-24-19)4-8-22-20(18)27-15-5-11-26-12-6-15/h3-4,7-8,13,15H,1-2,5-6,9-12H2,(H,23,24).
What are the key properties of 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine?
4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 365.44 g/mol, XLogP of 3.18, 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-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 66829097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).