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

C22H28F2N6O2 — CID 118071124

IUPAC2-(3-fluorophenyl)-5-N-[1-(3-fluoropropyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)NC1CCN(CCCF)CC1)CC2
InChIInChI=1S/C22H28F2N6O2/c23-7-2-8-28-9-5-17(6-10-28)26-22(32)29-11-12-30-18(14-29)19(21(25)31)20(27-30)15-3-1-4-16(24)13-15/h1,3-4,13,17H,2,5-12,14H2,(H2,25,31)(H,26,32)
InChIKeyBBRCEAFZPKWQHZ-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.14
Rot. Bonds6

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

2-(3-fluorophenyl)-5-N-[1-(3-fluoropropyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118071124) has the molecular formula C22H28F2N6O2 and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-[1-(3-fluoropropyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-[1-(3-fluoropropyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118071124
Molecular FormulaC22H28F2N6O2
Molecular Weight446.50 g/mol
Exact Mass446.22
IUPAC Name2-(3-fluorophenyl)-5-N-[1-(3-fluoropropyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)NC1CCN(CCCF)CC1)CC2
InChIInChI=1S/C22H28F2N6O2/c23-7-2-8-28-9-5-17(6-10-28)26-22(32)29-11-12-30-18(14-29)19(21(25)31)20(27-30)15-3-1-4-16(24)13-15/h1,3-4,13,17H,2,5-12,14H2,(H2,25,31)(H,26,32)
InChIKeyBBRCEAFZPKWQHZ-UHFFFAOYSA-N
XLogP2.14
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-[1-(3-fluoropropyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-[1-(3-fluoropropyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118071124) is 2-(3-fluorophenyl)-5-N-[1-(3-fluoropropyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-[1-(3-fluoropropyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-[1-(3-fluoropropyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)NC1CCN(CCCF)CC1)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-[1-(3-fluoropropyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is BBRCEAFZPKWQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N6O2/c23-7-2-8-28-9-5-17(6-10-28)26-22(32)29-11-12-30-18(14-29)19(21(25)31)20(27-30)15-3-1-4-16(24)13-15/h1,3-4,13,17H,2,5-12,14H2,(H2,25,31)(H,26,32).
What are the key properties of 2-(3-fluorophenyl)-5-N-[1-(3-fluoropropyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-[1-(3-fluoropropyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 446.50 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-[1-(3-fluoropropyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118071124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).