2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C21H23ClFN5O2 — CID 118061757

IUPAC2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC1(NC(=O)N2CCn3nc(-c4ccc(F)c(Cl)c4)c(C(N)=O)c3C2)CC2(CC2)C1
InChIInChI=1S/C21H23ClFN5O2/c1-20(10-21(11-20)4-5-21)25-19(30)27-6-7-28-15(9-27)16(18(24)29)17(26-28)12-2-3-14(23)13(22)8-12/h2-3,8H,4-7,9-11H2,1H3,(H2,24,29)(H,25,30)
InChIKeyUITUNHPCNXVVQL-UHFFFAOYSA-N
MW431.90 g/mol
LogP3.30
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061757) has the molecular formula C21H23ClFN5O2 and a molecular weight of 431.90 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061757
Molecular FormulaC21H23ClFN5O2
Molecular Weight431.90 g/mol
Exact Mass431.15
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC1(NC(=O)N2CCn3nc(-c4ccc(F)c(Cl)c4)c(C(N)=O)c3C2)CC2(CC2)C1
InChIInChI=1S/C21H23ClFN5O2/c1-20(10-21(11-20)4-5-21)25-19(30)27-6-7-28-15(9-27)16(18(24)29)17(26-28)12-2-3-14(23)13(22)8-12/h2-3,8H,4-7,9-11H2,1H3,(H2,24,29)(H,25,30)
InChIKeyUITUNHPCNXVVQL-UHFFFAOYSA-N
XLogP3.30
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide 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

2-(3-chloro-4-fluorophenyl)-5-N-(3-fluoro-1,3-dimethylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061452
2-(3-chloro-4-fluorophenyl)-5-N-(1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 123662925
2-(3-chloro-4-fluorophenyl)-5-N-(1,3,7,7-tetramethyl-3-bicyclo[3.3.1]nonanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 138749470
benzyl 5-methylspiro[2.3]hexane-5-carboxylate;benzyl spiro[2.3]hexane-5-carboxylate;2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide;5-methylspiro[2.3]hexane-5-carboxylic acid
CID 160668774
5-N-(3-fluoro-1,3-dimethylcyclobutyl)-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 163856319
2-(3-chloro-4-fluorophenyl)-5-N-[3,3-difluoro-1-(4-fluorophenyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061732
2-(3-chloro-4-fluorophenyl)-5-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 138749230
2-(3-chloro-4-fluorophenyl)-5-N-(2,3-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650830
2-(3-chloro-4-fluorophenyl)-5-N-(3-methylsulfonylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061980
2-(3-chloro-4-fluorophenyl)-5-N-(4-fluoro-2-methylpentan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118087454
2-(3-chloro-4-fluorophenyl)-5-N-[2-methyl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118071142
5-amino-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 144845127

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061757) is 2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC1(NC(=O)N2CCn3nc(-c4ccc(F)c(Cl)c4)c(C(N)=O)c3C2)CC2(CC2)C1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is UITUNHPCNXVVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN5O2/c1-20(10-21(11-20)4-5-21)25-19(30)27-6-7-28-15(9-27)16(18(24)29)17(26-28)12-2-3-14(23)13(22)8-12/h2-3,8H,4-7,9-11H2,1H3,(H2,24,29)(H,25,30).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 431.90 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-N-(5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).