5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C24H27F2N5O3 — CID 118062133

IUPAC5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)NC13CC4CC(O)(CC(F)(C4)C1)C3)CC2
InChIInChI=1S/C24H27F2N5O3/c25-16-3-1-2-15(6-16)19-18(20(27)32)17-10-30(4-5-31(17)29-19)21(33)28-23-8-14-7-22(26,11-23)12-24(34,9-14)13-23/h1-3,6,14,34H,4-5,7-13H2,(H2,27,32)(H,28,33)
InChIKeyJPYSSDRPOVPHBH-UHFFFAOYSA-N
MW471.51 g/mol
LogP2.49
Rot. Bonds3

About 5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062133) has the molecular formula C24H27F2N5O3 and a molecular weight of 471.51 g/mol. Its IUPAC name is 5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118062133
Molecular FormulaC24H27F2N5O3
Molecular Weight471.51 g/mol
Exact Mass471.21
IUPAC Name5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)NC13CC4CC(O)(CC(F)(C4)C1)C3)CC2
InChIInChI=1S/C24H27F2N5O3/c25-16-3-1-2-15(6-16)19-18(20(27)32)17-10-30(4-5-31(17)29-19)21(33)28-23-8-14-7-22(26,11-23)12-24(34,9-14)13-23/h1-3,6,14,34H,4-5,7-13H2,(H2,27,32)(H,28,33)
InChIKeyJPYSSDRPOVPHBH-UHFFFAOYSA-N
XLogP2.49
TPSA113.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062133) is 5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)NC13CC4CC(O)(CC(F)(C4)C1)C3)CC2.
What is the InChIKey of 5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is JPYSSDRPOVPHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O3/c25-16-3-1-2-15(6-16)19-18(20(27)32)17-10-30(4-5-31(17)29-19)21(33)28-23-8-14-7-22(26,11-23)12-24(34,9-14)13-23/h1-3,6,14,34H,4-5,7-13H2,(H2,27,32)(H,28,33).
What are the key properties of 5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 471.51 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-fluoro-5-hydroxy-1-adamantyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).