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

C19H12F2N6O2S — CID 158298229

IUPACN-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2ccsc2cc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C19H12F2N6O2S/c20-19(21)29-14-7-15-10(2-5-30-15)6-11(14)16-13(9-23-26-16)25-18(28)12-8-24-27-4-1-3-22-17(12)27/h1-9,19H,(H,23,26)(H,25,28)
InChIKeyPHAFLCGYMYULRT-UHFFFAOYSA-N
MW426.41 g/mol
LogP4.19
Rot. Bonds5

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

N-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158298229) has the molecular formula C19H12F2N6O2S and a molecular weight of 426.41 g/mol. Its IUPAC name is N-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158298229
Molecular FormulaC19H12F2N6O2S
Molecular Weight426.41 g/mol
Exact Mass426.07
IUPAC NameN-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2ccsc2cc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C19H12F2N6O2S/c20-19(21)29-14-7-15-10(2-5-30-15)6-11(14)16-13(9-23-26-16)25-18(28)12-8-24-27-4-1-3-22-17(12)27/h1-9,19H,(H,23,26)(H,25,28)
InChIKeyPHAFLCGYMYULRT-UHFFFAOYSA-N
XLogP4.19
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158298229) is N-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn[nH]c1-c1cc2ccsc2cc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PHAFLCGYMYULRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N6O2S/c20-19(21)29-14-7-15-10(2-5-30-15)6-11(14)16-13(9-23-26-16)25-18(28)12-8-24-27-4-1-3-22-17(12)27/h1-9,19H,(H,23,26)(H,25,28).
What are the key properties of N-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 426.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158298229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).