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

C18H11F2N7O2S — CID 135200158

IUPACN-[5-[5-(difluoromethoxy)-1,2-benzothiazol-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2sncc2cc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C18H11F2N7O2S/c19-18(20)29-13-4-9-6-24-30-14(9)5-10(13)15-12(8-22-26-15)25-17(28)11-7-23-27-3-1-2-21-16(11)27/h1-8,18H,(H,22,26)(H,25,28)
InChIKeyWNVSABGLXFTXRN-UHFFFAOYSA-N
MW427.40 g/mol
LogP3.58
Rot. Bonds5

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

N-[5-[5-(difluoromethoxy)-1,2-benzothiazol-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135200158) has the molecular formula C18H11F2N7O2S and a molecular weight of 427.40 g/mol. Its IUPAC name is N-[5-[5-(difluoromethoxy)-1,2-benzothiazol-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(difluoromethoxy)-1,2-benzothiazol-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135200158
Molecular FormulaC18H11F2N7O2S
Molecular Weight427.40 g/mol
Exact Mass427.07
IUPAC NameN-[5-[5-(difluoromethoxy)-1,2-benzothiazol-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2sncc2cc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C18H11F2N7O2S/c19-18(20)29-13-4-9-6-24-30-14(9)5-10(13)15-12(8-22-26-15)25-17(28)11-7-23-27-3-1-2-21-16(11)27/h1-8,18H,(H,22,26)(H,25,28)
InChIKeyWNVSABGLXFTXRN-UHFFFAOYSA-N
XLogP3.58
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(difluoromethoxy)-1,2-benzothiazol-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[5-(difluoromethoxy)-1,2-benzothiazol-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135200158) is N-[5-[5-(difluoromethoxy)-1,2-benzothiazol-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(difluoromethoxy)-1,2-benzothiazol-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[5-(difluoromethoxy)-1,2-benzothiazol-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn[nH]c1-c1cc2sncc2cc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[5-[5-(difluoromethoxy)-1,2-benzothiazol-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WNVSABGLXFTXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N7O2S/c19-18(20)29-13-4-9-6-24-30-14(9)5-10(13)15-12(8-22-26-15)25-17(28)11-7-23-27-3-1-2-21-16(11)27/h1-8,18H,(H,22,26)(H,25,28).
What are the key properties of N-[5-[5-(difluoromethoxy)-1,2-benzothiazol-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[5-(difluoromethoxy)-1,2-benzothiazol-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 427.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(difluoromethoxy)-1,2-benzothiazol-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135200158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).