N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H23F2N7O2 — CID 135200156

IUPACN-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(C2CCCNC2)nc1-c1cc2ccccc2cc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C26H23F2N7O2/c27-26(28)37-22-12-17-6-2-1-5-16(17)11-19(22)23-21(15-35(33-23)18-7-3-8-29-13-18)32-25(36)20-14-31-34-10-4-9-30-24(20)34/h1-2,4-6,9-12,14-15,18,26,29H,3,7-8,13H2,(H,32,36)
InChIKeyBMQOFJHXPWFJSK-UHFFFAOYSA-N
MW503.51 g/mol
LogP4.52
Rot. Bonds6

About N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135200156) has the molecular formula C26H23F2N7O2 and a molecular weight of 503.51 g/mol. Its IUPAC name is N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135200156
Molecular FormulaC26H23F2N7O2
Molecular Weight503.51 g/mol
Exact Mass503.19
IUPAC NameN-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(C2CCCNC2)nc1-c1cc2ccccc2cc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C26H23F2N7O2/c27-26(28)37-22-12-17-6-2-1-5-16(17)11-19(22)23-21(15-35(33-23)18-7-3-8-29-13-18)32-25(36)20-14-31-34-10-4-9-30-24(20)34/h1-2,4-6,9-12,14-15,18,26,29H,3,7-8,13H2,(H,32,36)
InChIKeyBMQOFJHXPWFJSK-UHFFFAOYSA-N
XLogP4.52
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.51
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66847152
N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137797033
N-[5-[5-cyano-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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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-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
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5-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-6-methoxy-2-methyl-3H-isoindol-1-one
CID 102593934
US11155557, Example 1
CID 135200194
N-[5-[6-(difluoromethoxy)-1H-indazol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135200197
N-[5-[2-(difluoromethoxy)-5-iodophenyl]-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-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135200156) is N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn(C2CCCNC2)nc1-c1cc2ccccc2cc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BMQOFJHXPWFJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N7O2/c27-26(28)37-22-12-17-6-2-1-5-16(17)11-19(22)23-21(15-35(33-23)18-7-3-8-29-13-18)32-25(36)20-14-31-34-10-4-9-30-24(20)34/h1-2,4-6,9-12,14-15,18,26,29H,3,7-8,13H2,(H,32,36).
What are the key properties of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 503.51 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-piperidin-3-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135200156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).