2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H15F4N5O2 — CID 118575114

IUPAC2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(CNc3ccc(OC(F)F)cc3F)nn2CCN1c1ccc(F)cn1
InChIInChI=1S/C19H15F4N5O2/c20-11-1-4-17(25-9-11)27-5-6-28-16(18(27)29)7-12(26-28)10-24-15-3-2-13(8-14(15)21)30-19(22)23/h1-4,7-9,19,24H,5-6,10H2
InChIKeyKYLJSCVSHOKZNM-UHFFFAOYSA-N
MW421.35 g/mol
LogP3.43
Rot. Bonds6

About 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118575114) has the molecular formula C19H15F4N5O2 and a molecular weight of 421.35 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118575114
Molecular FormulaC19H15F4N5O2
Molecular Weight421.35 g/mol
Exact Mass421.12
IUPAC Name2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1c2cc(CNc3ccc(OC(F)F)cc3F)nn2CCN1c1ccc(F)cn1
InChIInChI=1S/C19H15F4N5O2/c20-11-1-4-17(25-9-11)27-5-6-28-16(18(27)29)7-12(26-28)10-24-15-3-2-13(8-14(15)21)30-19(22)23/h1-4,7-9,19,24H,5-6,10H2
InChIKeyKYLJSCVSHOKZNM-UHFFFAOYSA-N
XLogP3.43
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-(4-(4-Methoxyphenyl)piperazin-1-yl)propyl)-2-(1-methyl-6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)acetamide
CID 44665680
Pyrazole scaffold, 16
CID 25218470
5-(5-Methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973635
5-(5-Methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974348
5-(5-fluoropyridin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 67974411
5-(5-Fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974471
2-(Phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974497
2-[(3-Fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 70654545
N-(4-(Chlorodifluoromethoxy)phenyl)-5-(1H-pyrazol-5-yl)-6-(4-(2,2,2-trifluoroethyl)piperazin-1-yl)nicotinamide
CID 118044927
N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16024895
N-{3-[4-(4-Methoxyphenyl)-1-piperazinyl]propyl}-2-(6-oxopyrido[2,3-E]pyrrolo[1,2-A]pyrazin-5(6H)-YL)acetamide
CID 22553442
N-(4-methoxyphenyl)-1-(pyrazolo[1,5-a]pyrimidin-2-ylcarbonyl)-3-piperidinamine
CID 24816834

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118575114) is 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C1c2cc(CNc3ccc(OC(F)F)cc3F)nn2CCN1c1ccc(F)cn1.
What is the InChIKey of 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KYLJSCVSHOKZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5O2/c20-11-1-4-17(25-9-11)27-5-6-28-16(18(27)29)7-12(26-28)10-24-15-3-2-13(8-14(15)21)30-19(22)23/h1-4,7-9,19,24H,5-6,10H2.
What are the key properties of 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 421.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118575114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).