3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate

C40H42Cl2F2N6O6 — CID 163819683

IUPAC3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate
SMILESC.COC(=O)c1ccc2c(-c3c(F)cccc3Cl)c(C)nn2c1N1CCOCC1.Cc1nn2c(N3CCOCC3)c(C(=O)O)ccc2c1-c1c(F)cccc1Cl.[H][2H]
InChIInChI=1S/C20H19ClFN3O3.C19H17ClFN3O3.CH4.H2/c1-12-17(18-14(21)4-3-5-15(18)22)16-7-6-13(20(26)27-2)19(25(16)23-12)24-8-10-28-11-9-24;1-11-16(17-13(20)3-2-4-14(17)21)15-6-5-12(19(25)26)18(24(15)22-11)23-7-9-27-10-8-23;;/h3-7H,8-11H2,1-2H3;2-6H,7-10H2,1H3,(H,25,26);1H4;1H/i;;;1+1
InChIKeyNUHYDLSBVFPICH-SGNQUONSSA-N
MW812.72 g/mol
LogP8.24
Rot. Bonds6

About 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate

3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 163819683) has the molecular formula C40H42Cl2F2N6O6 and a molecular weight of 812.72 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate
PubChem CID163819683
Molecular FormulaC40H42Cl2F2N6O6
Molecular Weight812.72 g/mol
Exact Mass811.26
IUPAC Name3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate
SMILESC.COC(=O)c1ccc2c(-c3c(F)cccc3Cl)c(C)nn2c1N1CCOCC1.Cc1nn2c(N3CCOCC3)c(C(=O)O)ccc2c1-c1c(F)cccc1Cl.[H][2H]
InChIInChI=1S/C20H19ClFN3O3.C19H17ClFN3O3.CH4.H2/c1-12-17(18-14(21)4-3-5-15(18)22)16-7-6-13(20(26)27-2)19(25(16)23-12)24-8-10-28-11-9-24;1-11-16(17-13(20)3-2-4-14(17)21)15-6-5-12(19(25)26)18(24(15)22-11)23-7-9-27-10-8-23;;/h3-7H,8-11H2,1-2H3;2-6H,7-10H2,1H3,(H,25,26);1H4;1H/i;;;1+1
InChIKeyNUHYDLSBVFPICH-SGNQUONSSA-N
XLogP8.24
TPSA123.14 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500812.72
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate with MolForge

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Related Compounds

3-(2,6-difluorophenyl)-2-methyl-N-(4-methyloxan-4-yl)-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773874
methyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate
CID 155377011
methyl 2-chloro-3-morpholin-4-ylbenzoate
CID 166766817
ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate
CID 144574746
methyl 3-[(3-chloro-8-fluoroquinolin-4-yl)amino]-5-morpholin-4-yl-2-nitrobenzoate
CID 134361742
methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134364259
3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773884
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362246
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 2809863

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate (CID 163819683) is 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate is C.COC(=O)c1ccc2c(-c3c(F)cccc3Cl)c(C)nn2c1N1CCOCC1.Cc1nn2c(N3CCOCC3)c(C(=O)O)ccc2c1-c1c(F)cccc1Cl.[H][2H].
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is NUHYDLSBVFPICH-SGNQUONSSA-N. The full InChI is InChI=1S/C20H19ClFN3O3.C19H17ClFN3O3.CH4.H2/c1-12-17(18-14(21)4-3-5-15(18)22)16-7-6-13(20(26)27-2)19(25(16)23-12)24-8-10-28-11-9-24;1-11-16(17-13(20)3-2-4-14(17)21)15-6-5-12(19(25)26)18(24(15)22-11)23-7-9-27-10-8-23;;/h3-7H,8-11H2,1-2H3;2-6H,7-10H2,1H3,(H,25,26);1H4;1H/i;;;1+1.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate?
3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 812.72 g/mol, XLogP of 8.24, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylic acid;deuterium monohydride;methane;methyl 3-(2-chloro-6-fluorophenyl)-2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 163819683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).