6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

C18H21N5O3 — CID 135154625

IUPAC6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESCOc1ccc(OC2CCN(c3nc4[nH][nH]c(=O)c4cc3C)CC2)cn1
InChIInChI=1S/C18H21N5O3/c1-11-9-14-16(21-22-18(14)24)20-17(11)23-7-5-12(6-8-23)26-13-3-4-15(25-2)19-10-13/h3-4,9-10,12H,5-8H2,1-2H3,(H2,20,21,22,24)
InChIKeySDPXUGXGYSAQKE-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.01
Rot. Bonds4

About 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (PubChem CID 135154625) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
PubChem CID135154625
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESCOc1ccc(OC2CCN(c3nc4[nH][nH]c(=O)c4cc3C)CC2)cn1
InChIInChI=1S/C18H21N5O3/c1-11-9-14-16(21-22-18(14)24)20-17(11)23-7-5-12(6-8-23)26-13-3-4-15(25-2)19-10-13/h3-4,9-10,12H,5-8H2,1-2H3,(H2,20,21,22,24)
InChIKeySDPXUGXGYSAQKE-UHFFFAOYSA-N
XLogP2.01
TPSA96.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (CID 135154625) is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is COc1ccc(OC2CCN(c3nc4[nH][nH]c(=O)c4cc3C)CC2)cn1.
What is the InChIKey of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The InChIKey is SDPXUGXGYSAQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-11-9-14-16(21-22-18(14)24)20-17(11)23-7-5-12(6-8-23)26-13-3-4-15(25-2)19-10-13/h3-4,9-10,12H,5-8H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one has a molecular weight of 355.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 135154625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).