5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C24H31FN6O3 — CID 118069203

IUPAC5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)CC1
InChIInChI=1S/C24H31FN6O3/c1-24(2,3)22(33)29-9-7-17(8-10-29)27-23(34)30-11-12-31-18(14-30)19(21(26)32)20(28-31)15-5-4-6-16(25)13-15/h4-6,13,17H,7-12,14H2,1-3H3,(H2,26,32)(H,27,34)
InChIKeyKZVDPSHWPUKHTK-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.35
Rot. Bonds3

About 5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118069203) has the molecular formula C24H31FN6O3 and a molecular weight of 470.55 g/mol. Its IUPAC name is 5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118069203
Molecular FormulaC24H31FN6O3
Molecular Weight470.55 g/mol
Exact Mass470.24
IUPAC Name5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)CC1
InChIInChI=1S/C24H31FN6O3/c1-24(2,3)22(33)29-9-7-17(8-10-29)27-23(34)30-11-12-31-18(14-30)19(21(26)32)20(28-31)15-5-4-6-16(25)13-15/h4-6,13,17H,7-12,14H2,1-3H3,(H2,26,32)(H,27,34)
InChIKeyKZVDPSHWPUKHTK-UHFFFAOYSA-N
XLogP2.35
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118069203) is 5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(C)C(=O)N1CCC(NC(=O)N2CCn3nc(-c4cccc(F)c4)c(C(N)=O)c3C2)CC1.
What is the InChIKey of 5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is KZVDPSHWPUKHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O3/c1-24(2,3)22(33)29-9-7-17(8-10-29)27-23(34)30-11-12-31-18(14-30)19(21(26)32)20(28-31)15-5-4-6-16(25)13-15/h4-6,13,17H,7-12,14H2,1-3H3,(H2,26,32)(H,27,34).
What are the key properties of 5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 470.55 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118069203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).