benzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate

C25H22F2N4O2 — CID 72673017

IUPACbenzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate
SMILESO=C(Nc1cnn2ccc(N3CC(F)CC3c3cccc(F)c3)cc12)OCc1ccccc1
InChIInChI=1S/C25H22F2N4O2/c26-19-8-4-7-18(11-19)23-12-20(27)15-30(23)21-9-10-31-24(13-21)22(14-28-31)29-25(32)33-16-17-5-2-1-3-6-17/h1-11,13-14,20,23H,12,15-16H2,(H,29,32)
InChIKeyLIGKFGZCIYEDDJ-UHFFFAOYSA-N
MW448.47 g/mol
LogP5.51
Rot. Bonds5

About benzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate

benzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate (PubChem CID 72673017) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is benzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate
PubChem CID72673017
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC Namebenzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate
SMILESO=C(Nc1cnn2ccc(N3CC(F)CC3c3cccc(F)c3)cc12)OCc1ccccc1
InChIInChI=1S/C25H22F2N4O2/c26-19-8-4-7-18(11-19)23-12-20(27)15-30(23)21-9-10-31-24(13-21)22(14-28-31)29-25(32)33-16-17-5-2-1-3-6-17/h1-11,13-14,20,23H,12,15-16H2,(H,29,32)
InChIKeyLIGKFGZCIYEDDJ-UHFFFAOYSA-N
XLogP5.51
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.47
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-3-[5-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 149646362
6-cyclopropyl-3-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 152045758
benzyl 2-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2-yl)pyrrolidine-1-carboxylate
CID 44411146
benzyl N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]carbamate
CID 118537205
US11141410, Example 2
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US9688669, Example 26
CID 133081522
US9688669, Example 31
CID 133081526
benzyl N-[3-(2-methyl-4-pyridinyl)-1H-indazol-6-yl]carbamate
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1-{[5-fluoro-2-(trifluoromethyl)benzyl]oxy}-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
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[(1R)-1-(2-fluorophenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264041
1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264202
[(1R)-1-(3,4-difluorophenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate?
The IUPAC name of benzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate (CID 72673017) is benzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate?
The canonical SMILES for benzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate is O=C(Nc1cnn2ccc(N3CC(F)CC3c3cccc(F)c3)cc12)OCc1ccccc1.
What is the InChIKey of benzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate?
The InChIKey is LIGKFGZCIYEDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c26-19-8-4-7-18(11-19)23-12-20(27)15-30(23)21-9-10-31-24(13-21)22(14-28-31)29-25(32)33-16-17-5-2-1-3-6-17/h1-11,13-14,20,23H,12,15-16H2,(H,29,32).
What are the key properties of benzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate?
benzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate has a molecular weight of 448.47 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate is sourced from PubChem (CID 72673017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).