4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one

C20H25N3O2 — CID 123477168

IUPAC4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one
SMILESCC=C(C)c1cc(OC(C)C2CNC(=O)C2)c2c(C3CC3)cnn2c1
InChIInChI=1S/C20H25N3O2/c1-4-12(2)16-7-18(25-13(3)15-8-19(24)21-9-15)20-17(14-5-6-14)10-22-23(20)11-16/h4,7,10-11,13-15H,5-6,8-9H2,1-3H3,(H,21,24)
InChIKeyIFQVMGFPBLNJLC-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.54
Rot. Bonds5

About 4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one

4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 123477168) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one
PubChem CID123477168
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one
SMILESCC=C(C)c1cc(OC(C)C2CNC(=O)C2)c2c(C3CC3)cnn2c1
InChIInChI=1S/C20H25N3O2/c1-4-12(2)16-7-18(25-13(3)15-8-19(24)21-9-15)20-17(14-5-6-14)10-22-23(20)11-16/h4,7,10-11,13-15H,5-6,8-9H2,1-3H3,(H,21,24)
InChIKeyIFQVMGFPBLNJLC-UHFFFAOYSA-N
XLogP3.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one
CID 158199287
6-chloro-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 123566804
4-[1-[6-(1-tert-butylpyrazol-4-yl)-3-methylbenzimidazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 123282918
ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 144786649
(4R)-4-[(1R)-1-[3-chloro-6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 158958010
4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 122512500
tert-butyl 4-[2-methoxy-4-[3-methyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]phenyl]piperazine-1-carboxylate
CID 123649724
tert-butyl-[(Z)-2-[1-cyclopropyl-7-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]benzimidazol-5-yl]-3-iminoprop-1-enyl]azanium
CID 144786696
(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
CID 122497073
4-[1-[3-cyclopropyl-6-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 123673608
2-[[3-[1-cyclopropyl-7-[1-(5-oxopyrrolidin-3-yl)ethoxy]benzimidazol-5-yl]-3-iminopropylidene]amino]-2-methylpropanenitrile
CID 123240810
4-[1-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123463097

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one (CID 123477168) is 4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one is CC=C(C)c1cc(OC(C)C2CNC(=O)C2)c2c(C3CC3)cnn2c1.
What is the InChIKey of 4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one?
The InChIKey is IFQVMGFPBLNJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-12(2)16-7-18(25-13(3)15-8-19(24)21-9-15)20-17(14-5-6-14)10-22-23(20)11-16/h4,7,10-11,13-15H,5-6,8-9H2,1-3H3,(H,21,24).
What are the key properties of 4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one?
4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-but-2-en-2-yl-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 123477168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).