N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide

C24H24FN5O2 — CID 167130311

IUPACN-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide
SMILESCC(=O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(NC(=O)CC4CC4)c3)c2C1
InChIInChI=1S/C24H24FN5O2/c1-15(31)29-10-11-30-20(14-29)23(24(28-30)17-4-6-19(25)7-5-17)18-8-9-26-21(13-18)27-22(32)12-16-2-3-16/h4-9,13,16H,2-3,10-12,14H2,1H3,(H,26,27,32)
InChIKeyGALXPLLBLJCLDX-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.85
Rot. Bonds5

About N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide

N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide (PubChem CID 167130311) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide
PubChem CID167130311
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC NameN-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide
SMILESCC(=O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(NC(=O)CC4CC4)c3)c2C1
InChIInChI=1S/C24H24FN5O2/c1-15(31)29-10-11-30-20(14-29)23(24(28-30)17-4-6-19(25)7-5-17)18-8-9-26-21(13-18)27-22(32)12-16-2-3-16/h4-9,13,16H,2-3,10-12,14H2,1H3,(H,26,27,32)
InChIKeyGALXPLLBLJCLDX-UHFFFAOYSA-N
XLogP3.85
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide?
The IUPAC name of N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide (CID 167130311) is N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide is CC(=O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(NC(=O)CC4CC4)c3)c2C1.
What is the InChIKey of N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide?
The InChIKey is GALXPLLBLJCLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-15(31)29-10-11-30-20(14-29)23(24(28-30)17-4-6-19(25)7-5-17)18-8-9-26-21(13-18)27-22(32)12-16-2-3-16/h4-9,13,16H,2-3,10-12,14H2,1H3,(H,26,27,32).
What are the key properties of N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide?
N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide has a molecular weight of 433.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide is sourced from PubChem (CID 167130311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).