2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide

C20H19ClF3N5O2 — CID 118062666

IUPAC2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CN(C(=O)NC1CC(F)(F)C1)CC21CC1
InChIInChI=1S/C20H19ClF3N5O2/c21-12-5-10(1-2-13(12)22)16-15(17(25)30)14-8-28(9-19(3-4-19)29(14)27-16)18(31)26-11-6-20(23,24)7-11/h1-2,5,11H,3-4,6-9H2,(H2,25,30)(H,26,31)
InChIKeyGWYIYYYJPJYJRS-UHFFFAOYSA-N
MW453.85 g/mol
LogP3.25
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide

2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide (PubChem CID 118062666) has the molecular formula C20H19ClF3N5O2 and a molecular weight of 453.85 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide
PubChem CID118062666
Molecular FormulaC20H19ClF3N5O2
Molecular Weight453.85 g/mol
Exact Mass453.12
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CN(C(=O)NC1CC(F)(F)C1)CC21CC1
InChIInChI=1S/C20H19ClF3N5O2/c21-12-5-10(1-2-13(12)22)16-15(17(25)30)14-8-28(9-19(3-4-19)29(14)27-16)18(31)26-11-6-20(23,24)7-11/h1-2,5,11H,3-4,6-9H2,(H2,25,30)(H,26,31)
InChIKeyGWYIYYYJPJYJRS-UHFFFAOYSA-N
XLogP3.25
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.85
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluorophenyl)-5-N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 138749230
tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-1',1'-difluorospiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,3'-cyclobutane]-5-carboxylate
CID 118069373
1'-acetyl-2-(3-chloro-4-fluorophenyl)-5-N-(4-cyanophenyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,3'-azetidine]-3,5-dicarboxamide
CID 118085543
5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7,7-bis(fluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118071309
2-(3-chloro-4-fluorophenyl)-5-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062853
2-(3-chloro-4-fluorophenyl)-5-N-(3-methylsulfonylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061980
(7R)-5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-2'-morpholin-4-ylspiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide
CID 144845387
2-(3-chloro-4-fluorophenyl)-5-N-(1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 123662925
2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 123762503
2-(3-chloro-4-fluorophenyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,1'-cyclopropane]-3-carboxamide
CID 118069321
2-(3-chlorophenyl)-5-N-(3-fluoro-3-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118071183
(7R)-2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 147242091

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide (CID 118062666) is 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide is NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CN(C(=O)NC1CC(F)(F)C1)CC21CC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide?
The InChIKey is GWYIYYYJPJYJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N5O2/c21-12-5-10(1-2-13(12)22)16-15(17(25)30)14-8-28(9-19(3-4-19)29(14)27-16)18(31)26-11-6-20(23,24)7-11/h1-2,5,11H,3-4,6-9H2,(H2,25,30)(H,26,31).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide?
2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide has a molecular weight of 453.85 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-N-(3,3-difluorocyclobutyl)spiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,1'-cyclopropane]-3,5-dicarboxamide is sourced from PubChem (CID 118062666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).