5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C51H50Br4FN13OS — CID 158531056

IUPAC5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1cc2cc(Br)cc(C)n2n1.CCc1nn2c(C)cc(Br)cc2c1N.CCc1nn2c(C)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(Br)cc2c1N=O
InChIInChI=1S/C21H17BrFN5S.C10H10BrN3O.C10H12BrN3.C10H11BrN2/c1-4-16-20(17-10-14(22)9-12(2)28(17)26-16)27(3)21-25-19(18(11-24)29-21)13-5-7-15(23)8-6-13;1-3-8-10(13-15)9-5-7(11)4-6(2)14(9)12-8;1-3-8-10(12)9-5-7(11)4-6(2)14(9)13-8;1-3-9-6-10-5-8(11)4-7(2)13(10)12-9/h5-10H,4H2,1-3H3;4-5H,3H2,1-2H3;4-5H,3,12H2,1-2H3;4-6H,3H2,1-2H3
InChIKeyHNJIGJISDKNYNV-UHFFFAOYSA-N
MW1231.73 g/mol
LogP14.75
Rot. Bonds8

About 5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 158531056) has the molecular formula C51H50Br4FN13OS and a molecular weight of 1231.73 g/mol. Its IUPAC name is 5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID158531056
Molecular FormulaC51H50Br4FN13OS
Molecular Weight1231.73 g/mol
Exact Mass1227.07
IUPAC Name5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1cc2cc(Br)cc(C)n2n1.CCc1nn2c(C)cc(Br)cc2c1N.CCc1nn2c(C)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(Br)cc2c1N=O
InChIInChI=1S/C21H17BrFN5S.C10H10BrN3O.C10H12BrN3.C10H11BrN2/c1-4-16-20(17-10-14(22)9-12(2)28(17)26-16)27(3)21-25-19(18(11-24)29-21)13-5-7-15(23)8-6-13;1-3-8-10(13-15)9-5-7(11)4-6(2)14(9)12-8;1-3-8-10(12)9-5-7(11)4-6(2)14(9)13-8;1-3-9-6-10-5-8(11)4-7(2)13(10)12-9/h5-10H,4H2,1-3H3;4-5H,3H2,1-2H3;4-5H,3,12H2,1-2H3;4-6H,3H2,1-2H3
InChIKeyHNJIGJISDKNYNV-UHFFFAOYSA-N
XLogP14.75
TPSA164.57 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001231.73
LogP ≤ 514.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile with MolForge

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Related Compounds

5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 154977980
5-Bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;2-ethyl-7-methyl-3-nitro-5-piperidin-1-ylpyrazolo[1,5-a]pyridine;2-[(2-ethyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine
CID 157269340
2-[(5-Bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-ethylpyrazolo[1,5-b]pyridazin-3-amine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine
CID 157980514
2-[(5-Bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(5-bromo-2-ethyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 157998877
5-bromo-2-cyclopropyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-bromo-2,6-dimethylpyridine;2-(4-bromo-6-methyl-2-pyridinyl)-1-cyclopropylethanone;N-[2-(4-bromo-6-methyl-2-pyridinyl)-1-cyclopropylethylidene]hydroxylamine;N-methoxy-N-methylcyclopropanecarboxamide
CID 158101867
5-Bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;2-ethyl-7-methyl-3-nitro-5-piperidin-1-ylpyrazolo[1,5-a]pyridine;2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine
CID 158670552
5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;2-[(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 159046829
6-Azaspiro[3.4]octane;5-(6-azaspiro[3.4]octan-6-yl)-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-(6-azaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;2-[[5-(6-azaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[5-(6-azaspiro[3.4]octan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5-bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine
CID 159459372
5-Bromo-2-ethyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 160728318
tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;tert-butyl N-(2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate;7-deuterio-2-ethyl-N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-amine;7-deuterio-2-ethyl-N-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-amine;2-[(7-deuterio-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;piperidine
CID 161003630
2-[(5-Bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-7-methyl-5-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 161225621
5-bromo-2-cyclopropyl-7-methyl-3-nitropyrazolo[1,5-a]pyridine;5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-cyclopropyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;4-bromo-2,6-dimethylpyridine;2-(4-bromo-6-methyl-2-pyridinyl)-1-cyclopropylethanone;N-[2-(4-bromo-6-methyl-2-pyridinyl)-1-cyclopropylethylidene]hydroxylamine;N-methoxy-N-methylcyclopropanecarboxamide
CID 161745647

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 158531056) is 5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1cc2cc(Br)cc(C)n2n1.CCc1nn2c(C)cc(Br)cc2c1N.CCc1nn2c(C)cc(Br)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nn2c(C)cc(Br)cc2c1N=O.
What is the InChIKey of 5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is HNJIGJISDKNYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFN5S.C10H10BrN3O.C10H12BrN3.C10H11BrN2/c1-4-16-20(17-10-14(22)9-12(2)28(17)26-16)27(3)21-25-19(18(11-24)29-21)13-5-7-15(23)8-6-13;1-3-8-10(13-15)9-5-7(11)4-6(2)14(9)12-8;1-3-8-10(12)9-5-7(11)4-6(2)14(9)13-8;1-3-9-6-10-5-8(11)4-7(2)13(10)12-9/h5-10H,4H2,1-3H3;4-5H,3H2,1-2H3;4-5H,3,12H2,1-2H3;4-6H,3H2,1-2H3.
What are the key properties of 5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 1231.73 g/mol, XLogP of 14.75, 8 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-7-methyl-3-nitrosopyrazolo[1,5-a]pyridine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine;5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridine;2-[(5-bromo-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 158531056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).