2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C22H22Cl2F2N4O2 — CID 161311696

IUPAC2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Cl)c(Cl)c2)nn2c1CN(C(=O)CC1CC3(C1)CC(F)(F)C3)CC2
InChIInChI=1S/C22H22Cl2F2N4O2/c23-14-2-1-13(6-15(14)24)19-18(20(27)32)16-9-29(3-4-30(16)28-19)17(31)5-12-7-21(8-12)10-22(25,26)11-21/h1-2,6,12H,3-5,7-11H2,(H2,27,32)
InChIKeyVIYZIOGQGNRESL-UHFFFAOYSA-N
MW483.35 g/mol
LogP4.51
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 161311696) has the molecular formula C22H22Cl2F2N4O2 and a molecular weight of 483.35 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID161311696
Molecular FormulaC22H22Cl2F2N4O2
Molecular Weight483.35 g/mol
Exact Mass482.11
IUPAC Name2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Cl)c(Cl)c2)nn2c1CN(C(=O)CC1CC3(C1)CC(F)(F)C3)CC2
InChIInChI=1S/C22H22Cl2F2N4O2/c23-14-2-1-13(6-15(14)24)19-18(20(27)32)16-9-29(3-4-30(16)28-19)17(31)5-12-7-21(8-12)10-22(25,26)11-21/h1-2,6,12H,3-5,7-11H2,(H2,27,32)
InChIKeyVIYZIOGQGNRESL-UHFFFAOYSA-N
XLogP4.51
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 161311696) is 2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is NC(=O)c1c(-c2ccc(Cl)c(Cl)c2)nn2c1CN(C(=O)CC1CC3(C1)CC(F)(F)C3)CC2.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is VIYZIOGQGNRESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2F2N4O2/c23-14-2-1-13(6-15(14)24)19-18(20(27)32)16-9-29(3-4-30(16)28-19)17(31)5-12-7-21(8-12)10-22(25,26)11-21/h1-2,6,12H,3-5,7-11H2,(H2,27,32).
What are the key properties of 2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 483.35 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-[2-(2,2-difluorospiro[3.3]heptan-6-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 161311696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).