1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one

C22H20N6O3 — CID 134248889

IUPAC1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one
SMILESCOc1nc(N2CCC(Nc3cccc(-c4cnco4)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H20N6O3/c1-30-21-17(15-10-24-25-11-15)5-6-20(27-21)28-8-7-18(22(28)29)26-16-4-2-3-14(9-16)19-12-23-13-31-19/h2-6,9-13,18,26H,7-8H2,1H3,(H,24,25)
InChIKeyPPTMOZYCJXKNSU-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.35
Rot. Bonds6

About 1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one

1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one (PubChem CID 134248889) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one
PubChem CID134248889
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one
SMILESCOc1nc(N2CCC(Nc3cccc(-c4cnco4)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C22H20N6O3/c1-30-21-17(15-10-24-25-11-15)5-6-20(27-21)28-8-7-18(22(28)29)26-16-4-2-3-14(9-16)19-12-23-13-31-19/h2-6,9-13,18,26H,7-8H2,1H3,(H,24,25)
InChIKeyPPTMOZYCJXKNSU-UHFFFAOYSA-N
XLogP3.35
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one?
The IUPAC name of 1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one (CID 134248889) is 1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one.
What is the SMILES notation for 1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one?
The canonical SMILES for 1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one is COc1nc(N2CCC(Nc3cccc(-c4cnco4)c3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one?
The InChIKey is PPTMOZYCJXKNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-30-21-17(15-10-24-25-11-15)5-6-20(27-21)28-8-7-18(22(28)29)26-16-4-2-3-14(9-16)19-12-23-13-31-19/h2-6,9-13,18,26H,7-8H2,1H3,(H,24,25).
What are the key properties of 1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one?
1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one has a molecular weight of 416.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methoxy-5-(1H-pyrazol-4-yl)-2-pyridinyl]-3-[3-(1,3-oxazol-5-yl)anilino]pyrrolidin-2-one is sourced from PubChem (CID 134248889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).