2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone

C26H25N5O2 — CID 126698221

IUPAC2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone
SMILESO=C(CN1CCOCC1)c1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1
InChIInChI=1S/C26H25N5O2/c32-24(17-30-12-14-33-15-13-30)18-6-7-19-20(8-10-28-22(19)16-18)25-23-5-3-11-31(23)29-26(25)21-4-1-2-9-27-21/h1-2,4,6-10,16H,3,5,11-15,17H2
InChIKeyGWXXDHIBEMTBPT-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.62
Rot. Bonds5

About 2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone

2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone (PubChem CID 126698221) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone
PubChem CID126698221
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone
SMILESO=C(CN1CCOCC1)c1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1
InChIInChI=1S/C26H25N5O2/c32-24(17-30-12-14-33-15-13-30)18-6-7-19-20(8-10-28-22(19)16-18)25-23-5-3-11-31(23)29-26(25)21-4-1-2-9-27-21/h1-2,4,6-10,16H,3,5,11-15,17H2
InChIKeyGWXXDHIBEMTBPT-UHFFFAOYSA-N
XLogP3.62
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone (CID 126698221) is 2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone is O=C(CN1CCOCC1)c1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1.
What is the InChIKey of 2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone?
The InChIKey is GWXXDHIBEMTBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c32-24(17-30-12-14-33-15-13-30)18-6-7-19-20(8-10-28-22(19)16-18)25-23-5-3-11-31(23)29-26(25)21-4-1-2-9-27-21/h1-2,4,6-10,16H,3,5,11-15,17H2.
What are the key properties of 2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone?
2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone has a molecular weight of 439.52 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone is sourced from PubChem (CID 126698221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).