6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C24H20F3N5O2 — CID 152587269

IUPAC6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C1c2ccccc2CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)C(C1CC1)C2
InChIInChI=1S/C24H20F3N5O2/c25-17-7-15(8-18(26)22(17)27)29-24(34)31-11-21-19(9-28-32(21)12-20(31)13-5-6-13)30-10-14-3-1-2-4-16(14)23(30)33/h1-4,7-9,13,20H,5-6,10-12H2,(H,29,34)
InChIKeyYUSMFDUXSWAABW-UHFFFAOYSA-N
MW467.45 g/mol
LogP4.29
Rot. Bonds3

About 6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 152587269) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID152587269
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C1c2ccccc2CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)C(C1CC1)C2
InChIInChI=1S/C24H20F3N5O2/c25-17-7-15(8-18(26)22(17)27)29-24(34)31-11-21-19(9-28-32(21)12-20(31)13-5-6-13)30-10-14-3-1-2-4-16(14)23(30)33/h1-4,7-9,13,20H,5-6,10-12H2,(H,29,34)
InChIKeyYUSMFDUXSWAABW-UHFFFAOYSA-N
XLogP4.29
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide 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 6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 152587269) is 6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C1c2ccccc2CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)C(C1CC1)C2.
What is the InChIKey of 6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is YUSMFDUXSWAABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c25-17-7-15(8-18(26)22(17)27)29-24(34)31-11-21-19(9-28-32(21)12-20(31)13-5-6-13)30-10-14-3-1-2-4-16(14)23(30)33/h1-4,7-9,13,20H,5-6,10-12H2,(H,29,34).
What are the key properties of 6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 467.45 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(3-oxo-1H-isoindol-2-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 152587269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).