N-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H17F2N7O2S — CID 135188095

IUPACN-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CNc2cc(OC(F)F)c(-c3[nH]ncc3NC(=O)c3cnn4cccnc34)cc2S1
InChIInChI=1S/C20H17F2N7O2S/c1-10-7-24-13-6-15(31-20(21)22)11(5-16(13)32-10)17-14(9-25-28-17)27-19(30)12-8-26-29-4-2-3-23-18(12)29/h2-6,8-10,20,24H,7H2,1H3,(H,25,28)(H,27,30)
InChIKeyPXTMUXZHALRTHU-UHFFFAOYSA-N
MW457.47 g/mol
LogP3.88
Rot. Bonds5

About N-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135188095) has the molecular formula C20H17F2N7O2S and a molecular weight of 457.47 g/mol. Its IUPAC name is N-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135188095
Molecular FormulaC20H17F2N7O2S
Molecular Weight457.47 g/mol
Exact Mass457.11
IUPAC NameN-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CNc2cc(OC(F)F)c(-c3[nH]ncc3NC(=O)c3cnn4cccnc34)cc2S1
InChIInChI=1S/C20H17F2N7O2S/c1-10-7-24-13-6-15(31-20(21)22)11(5-16(13)32-10)17-14(9-25-28-17)27-19(30)12-8-26-29-4-2-3-23-18(12)29/h2-6,8-10,20,24H,7H2,1H3,(H,25,28)(H,27,30)
InChIKeyPXTMUXZHALRTHU-UHFFFAOYSA-N
XLogP3.88
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497218
N-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497481
N-[5-[2-(difluoromethoxy)-5-iodophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135379267
N-[5-[2-(difluoromethoxy)-5-ethylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162656118
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-([[4-(methylsulfanyl)phenyl]methyl]amino)-ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522478
US11155557, Example 149
CID 135186611
US11155557, Example 120
CID 135186619
US11155557, Example 38
CID 135186621
US11155557, Example 89
CID 135186622
US11155557, Example 45
CID 135186623
US11155557, Example 88
CID 135186850
US11155557, Example 99
CID 135186851

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135188095) is N-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1CNc2cc(OC(F)F)c(-c3[nH]ncc3NC(=O)c3cnn4cccnc34)cc2S1.
What is the InChIKey of N-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PXTMUXZHALRTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N7O2S/c1-10-7-24-13-6-15(31-20(21)22)11(5-16(13)32-10)17-14(9-25-28-17)27-19(30)12-8-26-29-4-2-3-23-18(12)29/h2-6,8-10,20,24H,7H2,1H3,(H,25,28)(H,27,30).
What are the key properties of N-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 457.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(difluoromethoxy)-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135188095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).