(5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one

C19H18N4O3 — CID 71227408

IUPAC(5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](COc2ccc(Oc3ccc(-c4ccn[nH]4)cn3)cc2)N1
InChIInChI=1S/C19H18N4O3/c24-18-7-2-14(22-18)12-25-15-3-5-16(6-4-15)26-19-8-1-13(11-20-19)17-9-10-21-23-17/h1,3-6,8-11,14H,2,7,12H2,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyDKSSJANKFAIBPR-AWEZNQCLSA-N
MW350.38 g/mol
LogP2.92
Rot. Bonds6

About (5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one

(5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one (PubChem CID 71227408) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is (5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one
PubChem CID71227408
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name(5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](COc2ccc(Oc3ccc(-c4ccn[nH]4)cn3)cc2)N1
InChIInChI=1S/C19H18N4O3/c24-18-7-2-14(22-18)12-25-15-3-5-16(6-4-15)26-19-8-1-13(11-20-19)17-9-10-21-23-17/h1,3-6,8-11,14H,2,7,12H2,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyDKSSJANKFAIBPR-AWEZNQCLSA-N
XLogP2.92
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one (CID 71227408) is (5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one is O=C1CC[C@@H](COc2ccc(Oc3ccc(-c4ccn[nH]4)cn3)cc2)N1.
What is the InChIKey of (5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one?
The InChIKey is DKSSJANKFAIBPR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-18-7-2-14(22-18)12-25-15-3-5-16(6-4-15)26-19-8-1-13(11-20-19)17-9-10-21-23-17/h1,3-6,8-11,14H,2,7,12H2,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of (5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one?
(5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one has a molecular weight of 350.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one is sourced from PubChem (CID 71227408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).