[2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C17H20N4O3 — CID 136537780

IUPAC[2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccnc(OC2CCOC2)c1)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C17H20N4O3/c22-17(21-8-1-2-15(21)14-4-7-19-20-14)12-3-6-18-16(10-12)24-13-5-9-23-11-13/h3-4,6-7,10,13,15H,1-2,5,8-9,11H2,(H,19,20)
InChIKeyFPLBEQMZWWVBRJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.95
Rot. Bonds4

About [2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

[2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 136537780) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is [2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID136537780
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name[2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccnc(OC2CCOC2)c1)N1CCCC1c1ccn[nH]1
InChIInChI=1S/C17H20N4O3/c22-17(21-8-1-2-15(21)14-4-7-19-20-14)12-3-6-18-16(10-12)24-13-5-9-23-11-13/h3-4,6-7,10,13,15H,1-2,5,8-9,11H2,(H,19,20)
InChIKeyFPLBEQMZWWVBRJ-UHFFFAOYSA-N
XLogP1.95
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 136537780) is [2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is O=C(c1ccnc(OC2CCOC2)c1)N1CCCC1c1ccn[nH]1.
What is the InChIKey of [2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is FPLBEQMZWWVBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-17(21-8-1-2-15(21)14-4-7-19-20-14)12-3-6-18-16(10-12)24-13-5-9-23-11-13/h3-4,6-7,10,13,15H,1-2,5,8-9,11H2,(H,19,20).
What are the key properties of [2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
[2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-3-yloxy)-4-pyridinyl]-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 136537780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).