tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate

C57H47Cl3F6N18O10 — CID 160911760

IUPACtert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)Nc1cnc(-n2cccn2)c(F)c1.COC(=O)c1cc(F)c(-n2cccn2)nc1Cl.COC(=O)c1cc(F)c(Cl)nc1Cl.COC(=O)c1cnc(-n2cccn2)c(F)c1.Nc1cnc(-n2cccn2)c(F)c1.O=C(O)c1cnc(-n2cccn2)c(F)c1
InChIInChI=1S/C13H15FN4O2.C10H7ClFN3O2.C10H8FN3O2.C9H6FN3O2.C8H7FN4.C7H4Cl2FNO2/c1-13(2,3)20-12(19)17-9-7-10(14)11(15-8-9)18-6-4-5-16-18;1-17-10(16)6-5-7(12)9(14-8(6)11)15-4-2-3-13-15;1-16-10(15)7-5-8(11)9(12-6-7)14-4-2-3-13-14;10-7-4-6(9(14)15)5-11-8(7)13-3-1-2-12-13;9-7-4-6(10)5-11-8(7)13-3-1-2-12-13;1-13-7(12)3-2-4(10)6(9)11-5(3)8/h4-8H,1-3H3,(H,17,19);2-5H,1H3;2-6H,1H3;1-5H,(H,14,15);1-5H,10H2;2H,1H3
InChIKeySQWMUNJOTBMBFI-UHFFFAOYSA-N
MW1364.47 g/mol
LogP10.20
Rot. Bonds10

About tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate

tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate (PubChem CID 160911760) has the molecular formula C57H47Cl3F6N18O10 and a molecular weight of 1364.47 g/mol. Its IUPAC name is tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate
PubChem CID160911760
Molecular FormulaC57H47Cl3F6N18O10
Molecular Weight1364.47 g/mol
Exact Mass1362.27
IUPAC Nametert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)Nc1cnc(-n2cccn2)c(F)c1.COC(=O)c1cc(F)c(-n2cccn2)nc1Cl.COC(=O)c1cc(F)c(Cl)nc1Cl.COC(=O)c1cnc(-n2cccn2)c(F)c1.Nc1cnc(-n2cccn2)c(F)c1.O=C(O)c1cnc(-n2cccn2)c(F)c1
InChIInChI=1S/C13H15FN4O2.C10H7ClFN3O2.C10H8FN3O2.C9H6FN3O2.C8H7FN4.C7H4Cl2FNO2/c1-13(2,3)20-12(19)17-9-7-10(14)11(15-8-9)18-6-4-5-16-18;1-17-10(16)6-5-7(12)9(14-8(6)11)15-4-2-3-13-15;1-16-10(15)7-5-8(11)9(12-6-7)14-4-2-3-13-14;10-7-4-6(9(14)15)5-11-8(7)13-3-1-2-12-13;9-7-4-6(10)5-11-8(7)13-3-1-2-12-13;1-13-7(12)3-2-4(10)6(9)11-5(3)8/h4-8H,1-3H3,(H,17,19);2-5H,1H3;2-6H,1H3;1-5H,(H,14,15);1-5H,10H2;2H,1H3
InChIKeySQWMUNJOTBMBFI-UHFFFAOYSA-N
XLogP10.20
TPSA346.99 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001364.47
LogP ≤ 510.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate with MolForge

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Related Compounds

6-Chloro-2-methylpyridine-3-carbaldehyde;6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;ethyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 159890394
5-bromo-2-chloro-3-(difluoromethyl)pyridine;5-bromo-2-chloropyridine-3-carbaldehyde;5-bromo-3-(difluoromethyl)-2-(triazol-1-yl)pyridine;5-bromo-3-(difluoromethyl)-2-(triazol-2-yl)pyridine;3-(difluoromethyl)-5-methyl-2-(triazol-1-yl)pyridine;3-(difluoromethyl)-5-methyl-2-(triazol-2-yl)pyridine;5-(difluoromethyl)-6-(triazol-1-yl)pyridin-3-amine;5-(difluoromethyl)-6-(triazol-2-yl)pyridin-3-amine;methane;methyl 5-bromo-2-chloropyridine-3-carboxylate;2H-triazole
CID 157678096
Methyl 2-chloro-5-fluoro-6-(triazol-1-yl)pyridine-3-carboxylate;methyl 2-chloro-5-fluoro-6-(triazol-2-yl)pyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-(triazol-1-yl)pyridine-3-carboxylate;methyl 5-fluoro-6-(triazol-2-yl)pyridine-3-carboxylate
CID 157921575
tert-butyl N-[5-fluoro-6-(triazol-1-yl)-3-pyridinyl]carbamate;5-fluoro-6-(triazol-1-yl)pyridin-3-amine;5-fluoro-6-(triazol-1-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-6-(triazol-1-yl)pyridine-3-carboxylate
CID 158354157
2-chloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;imino(trimethylsilylmethylidene)azanium;iodomethane;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole
CID 158366891
3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol
CID 158514595
Tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine;methane
CID 158836912
lithium;deuterio(fluoro)methane;3,4-dichloro-N-(4-methylphenyl)-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;3,4-dichloro-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 3,4-dichloro-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide
CID 159387023
Tert-butyl 3-aminopyrrolidine-1-carboxylate;7-chloro-3-(2,6-difluorophenyl)-1-(1-methylpyrrolidin-3-yl)-1,6-naphthyridin-2-one;6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-3-pyridinyl]methanol;1-(2,6-difluorophenyl)propan-2-one;dioxomanganese;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;5-fluoropyridin-2-amine
CID 160347196
2-chloro-5-fluoropyridine-3-carboxylic acid;diazomethyl(trimethyl)silane;5-fluoro-2-(triazol-1-yl)pyridine-3-carboxylic acid;5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-2-(triazol-2-yl)pyridine-3-carboxylate;2H-triazole;dihydrochloride
CID 161011928
tert-butyl N-[5-fluoro-6-(triazol-2-yl)-3-pyridinyl]carbamate;5-fluoro-6-(triazol-2-yl)pyridin-3-amine;5-fluoro-6-(triazol-2-yl)pyridine-3-carboxylic acid;methyl 5-fluoro-6-(triazol-2-yl)pyridine-3-carboxylate
CID 161044478
lithium;4-chloro-3-fluoro-N-(4-methylphenyl)-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-fluoro-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-fluoro-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide
CID 161553069

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate?
The IUPAC name of tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate (CID 160911760) is tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate.
What is the SMILES notation for tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate?
The canonical SMILES for tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate is CC(C)(C)OC(=O)Nc1cnc(-n2cccn2)c(F)c1.COC(=O)c1cc(F)c(-n2cccn2)nc1Cl.COC(=O)c1cc(F)c(Cl)nc1Cl.COC(=O)c1cnc(-n2cccn2)c(F)c1.Nc1cnc(-n2cccn2)c(F)c1.O=C(O)c1cnc(-n2cccn2)c(F)c1.
What is the InChIKey of tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate?
The InChIKey is SQWMUNJOTBMBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2.C10H7ClFN3O2.C10H8FN3O2.C9H6FN3O2.C8H7FN4.C7H4Cl2FNO2/c1-13(2,3)20-12(19)17-9-7-10(14)11(15-8-9)18-6-4-5-16-18;1-17-10(16)6-5-7(12)9(14-8(6)11)15-4-2-3-13-15;1-16-10(15)7-5-8(11)9(12-6-7)14-4-2-3-13-14;10-7-4-6(9(14)15)5-11-8(7)13-3-1-2-12-13;9-7-4-6(10)5-11-8(7)13-3-1-2-12-13;1-13-7(12)3-2-4(10)6(9)11-5(3)8/h4-8H,1-3H3,(H,17,19);2-5H,1H3;2-6H,1H3;1-5H,(H,14,15);1-5H,10H2;2H,1H3.
What are the key properties of tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate?
tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate has a molecular weight of 1364.47 g/mol, XLogP of 10.20, 10 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 160911760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).