[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone

C20H17N5O3 — CID 66613450

IUPAC[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
SMILESO=C(c1[nH]nc2ncccc12)N1CCc2nc(COc3ccccc3)oc2C1
InChIInChI=1S/C20H17N5O3/c26-20(18-14-7-4-9-21-19(14)24-23-18)25-10-8-15-16(11-25)28-17(22-15)12-27-13-5-2-1-3-6-13/h1-7,9H,8,10-12H2,(H,21,23,24)
InChIKeyCACDSTLXMIALPW-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.72
Rot. Bonds4

About [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone

[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone (PubChem CID 66613450) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
PubChem CID66613450
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
SMILESO=C(c1[nH]nc2ncccc12)N1CCc2nc(COc3ccccc3)oc2C1
InChIInChI=1S/C20H17N5O3/c26-20(18-14-7-4-9-21-19(14)24-23-18)25-10-8-15-16(11-25)28-17(22-15)12-27-13-5-2-1-3-6-13/h1-7,9H,8,10-12H2,(H,21,23,24)
InChIKeyCACDSTLXMIALPW-UHFFFAOYSA-N
XLogP2.72
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone?
The IUPAC name of [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone (CID 66613450) is [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone.
What is the SMILES notation for [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone?
The canonical SMILES for [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone is O=C(c1[nH]nc2ncccc12)N1CCc2nc(COc3ccccc3)oc2C1.
What is the InChIKey of [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone?
The InChIKey is CACDSTLXMIALPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c26-20(18-14-7-4-9-21-19(14)24-23-18)25-10-8-15-16(11-25)28-17(22-15)12-27-13-5-2-1-3-6-13/h1-7,9H,8,10-12H2,(H,21,23,24).
What are the key properties of [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone?
[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone has a molecular weight of 375.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone is sourced from PubChem (CID 66613450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).