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

C18H12F2N8O2 — CID 135200197

IUPACN-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2cn[nH]c2cc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C18H12F2N8O2/c19-18(20)30-14-5-12-9(6-22-26-12)4-10(14)15-13(8-23-27-15)25-17(29)11-7-24-28-3-1-2-21-16(11)28/h1-8,18H,(H,22,26)(H,23,27)(H,25,29)
InChIKeyJOKKEFYHRTWHHC-UHFFFAOYSA-N
MW410.34 g/mol
LogP2.85
Rot. Bonds5

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

N-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135200197) has the molecular formula C18H12F2N8O2 and a molecular weight of 410.34 g/mol. Its IUPAC name is N-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135200197
Molecular FormulaC18H12F2N8O2
Molecular Weight410.34 g/mol
Exact Mass410.11
IUPAC NameN-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2cn[nH]c2cc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C18H12F2N8O2/c19-18(20)30-14-5-12-9(6-22-26-12)4-10(14)15-13(8-23-27-15)25-17(29)11-7-24-28-3-1-2-21-16(11)28/h1-8,18H,(H,22,26)(H,23,27)(H,25,29)
InChIKeyJOKKEFYHRTWHHC-UHFFFAOYSA-N
XLogP2.85
TPSA125.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135200197) is N-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn[nH]c1-c1cc2cn[nH]c2cc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JOKKEFYHRTWHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N8O2/c19-18(20)30-14-5-12-9(6-22-26-12)4-10(14)15-13(8-23-27-15)25-17(29)11-7-24-28-3-1-2-21-16(11)28/h1-8,18H,(H,22,26)(H,23,27)(H,25,29).
What are the key properties of N-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 410.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135200197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).