2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine

C81H62BrF4N15O — CID 158045194

IUPAC2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine
SMILESCc1ccc(-c2cc(-c3ccccn3)n(Cc3ccccc3F)n2)nc1.Cc1ccc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)nc1.Fc1ccccc1Cn1nc(-c2ccccn2)c(Br)c1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ccccn2)cc1-c1ccco1
InChIInChI=1S/2C21H17FN4.C20H14BrFN4.C19H14FN3O/c1-15-9-10-18(24-13-15)20-12-21(19-8-4-5-11-23-19)26(25-20)14-16-6-2-3-7-17(16)22;1-15-9-10-19(24-13-15)21-12-20(18-8-4-5-11-23-18)25-26(21)14-16-6-2-3-7-17(16)22;21-18-19(16-9-3-5-11-23-16)25-26(13-14-7-1-2-8-15(14)22)20(18)17-10-4-6-12-24-17;20-15-7-2-1-6-14(15)13-23-18(19-9-5-11-24-19)12-17(22-23)16-8-3-4-10-21-16/h2*2-13H,14H2,1H3;1-12H,13H2;1-12H,13H2
InChIKeyFIVBHFZSYSTCMC-UHFFFAOYSA-N
MW1417.39 g/mol
LogP18.36
Rot. Bonds16

About 2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine

2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine (PubChem CID 158045194) has the molecular formula C81H62BrF4N15O and a molecular weight of 1417.39 g/mol. Its IUPAC name is 2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine.

Molecular Properties

Compound Name2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine
PubChem CID158045194
Molecular FormulaC81H62BrF4N15O
Molecular Weight1417.39 g/mol
Exact Mass1415.44
IUPAC Name2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine
SMILESCc1ccc(-c2cc(-c3ccccn3)n(Cc3ccccc3F)n2)nc1.Cc1ccc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)nc1.Fc1ccccc1Cn1nc(-c2ccccn2)c(Br)c1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ccccn2)cc1-c1ccco1
InChIInChI=1S/2C21H17FN4.C20H14BrFN4.C19H14FN3O/c1-15-9-10-18(24-13-15)20-12-21(19-8-4-5-11-23-19)26(25-20)14-16-6-2-3-7-17(16)22;1-15-9-10-19(24-13-15)21-12-20(18-8-4-5-11-23-18)25-26(21)14-16-6-2-3-7-17(16)22;21-18-19(16-9-3-5-11-23-16)25-26(13-14-7-1-2-8-15(14)22)20(18)17-10-4-6-12-24-17;20-15-7-2-1-6-14(15)13-23-18(19-9-5-11-24-19)12-17(22-23)16-8-3-4-10-21-16/h2*2-13H,14H2,1H3;1-12H,13H2;1-12H,13H2
InChIKeyFIVBHFZSYSTCMC-UHFFFAOYSA-N
XLogP18.36
TPSA174.65 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001417.39
LogP ≤ 518.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine with MolForge

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Related Compounds

1-(4-Bromophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(3,4-difluoro-5-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-2-methylidene-1,8-diazaspiro[4.5]decan-4-one
CID 158180394
5-[(2,4-Dimethylfuran-3-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);2-(phenoxymethyl)-5-(1-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157503123
(3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylphenyl)methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methylpyrazin-2-yl)methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methyl-2-pyridinyl)methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-methyl-3-pyridinyl)methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrazin-2-ylmethanone
CID 157892943
(3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluorophenyl)methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methylphenyl)methanone;[2-[(3-fluorophenoxy)methyl]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(6-methyl-2-pyridinyl)methanone;methane
CID 158237704
6-(furan-2-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 158754747
1-Ethyl-4-[[1-[3-fluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperazine;1-[3-fluoro-4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazole-4-carbaldehyde
CID 159636787
N-ethyl-4-fluoro-2-(1-methylpyrazol-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-3-carboxamide;N-ethyl-2-methoxy-5-(1-methylpyrazol-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-4-carboxamide;N-ethyl-4-methyl-3-(1-methylpyrazol-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-2-carboxamide;N-ethyl-5-methyl-2-(1-methylpyrazol-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-3-carboxamide;N-ethyl-3-(1-methylpyrazol-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-2-carboxamide;N-ethyl-3-(1-methylpyrazol-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-4-carboxamide
CID 160499757
5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-5-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 160625747
3-[5-(5-Bromofuran-2-yl)-1-phenylpyrazol-3-yl]pyridine;3-[5-(5-bromothiophen-2-yl)-1-phenylpyrazol-3-yl]pyridine;4-[5-(5-bromothiophen-2-yl)-1-phenylpyrazol-3-yl]pyridine;3-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)pyridine;4-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)pyridine
CID 161670789
1-[(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(2R,3R)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]ethanone;1-[(1R,9S)-6-[1-(difluoromethyl)pyrazol-4-yl]-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1R,9S)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone;1-[(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl]ethanone
CID 165043078

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine?
The IUPAC name of 2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine (CID 158045194) is 2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine.
What is the SMILES notation for 2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine?
The canonical SMILES for 2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine is Cc1ccc(-c2cc(-c3ccccn3)n(Cc3ccccc3F)n2)nc1.Cc1ccc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)nc1.Fc1ccccc1Cn1nc(-c2ccccn2)c(Br)c1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ccccn2)cc1-c1ccco1.
What is the InChIKey of 2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine?
The InChIKey is FIVBHFZSYSTCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17FN4.C20H14BrFN4.C19H14FN3O/c1-15-9-10-18(24-13-15)20-12-21(19-8-4-5-11-23-19)26(25-20)14-16-6-2-3-7-17(16)22;1-15-9-10-19(24-13-15)21-12-20(18-8-4-5-11-23-18)25-26(21)14-16-6-2-3-7-17(16)22;21-18-19(16-9-3-5-11-23-16)25-26(13-14-7-1-2-8-15(14)22)20(18)17-10-4-6-12-24-17;20-15-7-2-1-6-14(15)13-23-18(19-9-5-11-24-19)12-17(22-23)16-8-3-4-10-21-16/h2*2-13H,14H2,1H3;1-12H,13H2;1-12H,13H2.
What are the key properties of 2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine?
2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine has a molecular weight of 1417.39 g/mol, XLogP of 18.36, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(furan-2-yl)pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methylpyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-5-methylpyridine is sourced from PubChem (CID 158045194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).