2-(3-chloro-4-fluorophenyl)-5-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C23H27ClFN5O2 — CID 144845187

IUPAC2-(3-chloro-4-fluorophenyl)-5-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC12CCC(NC(=O)N3CCn4nc(-c5ccc(F)c(Cl)c5)c(C(N)=O)c4C3)(CC1)CC2
InChIInChI=1S/C23H27ClFN5O2/c1-22-4-7-23(8-5-22,9-6-22)27-21(32)29-10-11-30-17(13-29)18(20(26)31)19(28-30)14-2-3-16(25)15(24)12-14/h2-3,12H,4-11,13H2,1H3,(H2,26,31)(H,27,32)
InChIKeyJQEJJKVFSZENHR-UHFFFAOYSA-N
MW459.95 g/mol
LogP4.08
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-5-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-chloro-4-fluorophenyl)-5-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 144845187) has the molecular formula C23H27ClFN5O2 and a molecular weight of 459.95 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID144845187
Molecular FormulaC23H27ClFN5O2
Molecular Weight459.95 g/mol
Exact Mass459.18
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC12CCC(NC(=O)N3CCn4nc(-c5ccc(F)c(Cl)c5)c(C(N)=O)c4C3)(CC1)CC2
InChIInChI=1S/C23H27ClFN5O2/c1-22-4-7-23(8-5-22,9-6-22)27-21(32)29-10-11-30-17(13-29)18(20(26)31)19(28-30)14-2-3-16(25)15(24)12-14/h2-3,12H,4-11,13H2,1H3,(H2,26,31)(H,27,32)
InChIKeyJQEJJKVFSZENHR-UHFFFAOYSA-N
XLogP4.08
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.95
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluorophenyl)-5-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-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

US9598423, Example 108
CID 118071186
US9598423, Example 6
CID 91758754
US9598423, Example 167
CID 118061426
US9598423, Example 156
CID 118061644
US9598423, Example 17
CID 118061674
US9598423, Example 81
CID 118061879
US9598423, Example 162
CID 118061909
US9598423, Example 346
CID 118061910
US9598423, Example 62
CID 118061928
US9598423, Example 169
CID 118061948
US9598423, Example 20
CID 118062150
US9598423, Example 14
CID 118062158

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 144845187) is 2-(3-chloro-4-fluorophenyl)-5-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-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-(4-methyl-1-bicyclo[2.2.2]octanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC12CCC(NC(=O)N3CCn4nc(-c5ccc(F)c(Cl)c5)c(C(N)=O)c4C3)(CC1)CC2.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is JQEJJKVFSZENHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN5O2/c1-22-4-7-23(8-5-22,9-6-22)27-21(32)29-10-11-30-17(13-29)18(20(26)31)19(28-30)14-2-3-16(25)15(24)12-14/h2-3,12H,4-11,13H2,1H3,(H2,26,31)(H,27,32).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chloro-4-fluorophenyl)-5-N-(4-methyl-1-bicyclo[2.2.2]octanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 459.95 g/mol, XLogP of 4.08, 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-(4-methyl-1-bicyclo[2.2.2]octanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 144845187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).