N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H18F4N6O4S — CID 142622280

IUPACN-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1=CN(C2CCOC2=O)NC1c1cc(SC(F)F)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C22H18F4N6O4S/c23-21(24)36-16-3-2-11(37-22(25)26)8-12(16)17-14(10-32(30-17)15-4-7-35-20(15)34)29-19(33)13-9-28-31-6-1-5-27-18(13)31/h1-3,5-6,8-10,15,17,21-22,30H,4,7H2,(H,29,33)
InChIKeyZAYGKBDSYRYCQP-UHFFFAOYSA-N
MW538.48 g/mol
LogP3.09
Rot. Bonds8

About N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142622280) has the molecular formula C22H18F4N6O4S and a molecular weight of 538.48 g/mol. Its IUPAC name is N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID142622280
Molecular FormulaC22H18F4N6O4S
Molecular Weight538.48 g/mol
Exact Mass538.10
IUPAC NameN-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1=CN(C2CCOC2=O)NC1c1cc(SC(F)F)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C22H18F4N6O4S/c23-21(24)36-16-3-2-11(37-22(25)26)8-12(16)17-14(10-32(30-17)15-4-7-35-20(15)34)29-19(33)13-9-28-31-6-1-5-27-18(13)31/h1-3,5-6,8-10,15,17,21-22,30H,4,7H2,(H,29,33)
InChIKeyZAYGKBDSYRYCQP-UHFFFAOYSA-N
XLogP3.09
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-1-[(3R)-2-oxooxolan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142622261
N-[5-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145317149
N-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142477458
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-2-methyl-1-[2-[4-[methyl-[(2-methyl-1,3-dioxolan-2-yl)methyl]amino]piperidin-1-yl]-2-oxoethyl]-3H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421570
N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129164797
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414567
N-[5-[2-(difluoromethoxy)-5-piperidin-4-ylsulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135378798
N-[3-[5-(azetidin-3-ylsulfanyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155429365
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129178158
N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154962477
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129177966
N-[3-[2-(difluoromethoxy)-5-(1,3-difluoropropan-2-ylsulfanyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129164811

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142622280) is N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1=CN(C2CCOC2=O)NC1c1cc(SC(F)F)ccc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZAYGKBDSYRYCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N6O4S/c23-21(24)36-16-3-2-11(37-22(25)26)8-12(16)17-14(10-32(30-17)15-4-7-35-20(15)34)29-19(33)13-9-28-31-6-1-5-27-18(13)31/h1-3,5-6,8-10,15,17,21-22,30H,4,7H2,(H,29,33).
What are the key properties of N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 538.48 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142622280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).