8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid

C95H72BCl2F11N14O6 — CID 162050390

IUPAC8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid
SMILESCc1ccn2c(-c3cccc(F)c3F)ncc2c1-c1cnc(C)c(C(=O)Nc2ccc(F)cc2)c1.Cc1ccn2c(-c3cccc(F)c3F)ncc2c1-c1cnc(C)c(C(=O)Nc2ccc(F)cc2)c1.Cc1ccn2c(-c3cccc(F)c3F)ncc2c1Cl.Cc1ccnc(C=O)c1Cl.Cc1ncc(B(O)O)cc1C(=O)Nc1ccc(F)cc1.NCc1cccc(F)c1F
InChIInChI=1S/2C27H19F3N4O.C14H9ClF2N2.C13H12BFN2O3.C7H6ClNO.C7H7F2N/c2*1-15-10-11-34-23(14-32-26(34)20-4-3-5-22(29)25(20)30)24(15)17-12-21(16(2)31-13-17)27(35)33-19-8-6-18(28)7-9-19;1-8-5-6-19-11(12(8)15)7-18-14(19)9-3-2-4-10(16)13(9)17;1-8-12(6-9(7-16-8)14(19)20)13(18)17-11-4-2-10(15)3-5-11;1-5-2-3-9-6(4-10)7(5)8;8-6-3-1-2-5(4-10)7(6)9/h2*3-14H,1-2H3,(H,33,35);2-7H,1H3;2-7,19-20H,1H3,(H,17,18);2-4H,1H3;1-3H,4,10H2
InChIKeyYYLWRTGFWMEXSW-UHFFFAOYSA-N
MW1796.41 g/mol
LogP20.68
Rot. Bonds14

About 8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid

8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid (PubChem CID 162050390) has the molecular formula C95H72BCl2F11N14O6 and a molecular weight of 1796.41 g/mol. Its IUPAC name is 8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid
PubChem CID162050390
Molecular FormulaC95H72BCl2F11N14O6
Molecular Weight1796.41 g/mol
Exact Mass1794.51
IUPAC Name8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid
SMILESCc1ccn2c(-c3cccc(F)c3F)ncc2c1-c1cnc(C)c(C(=O)Nc2ccc(F)cc2)c1.Cc1ccn2c(-c3cccc(F)c3F)ncc2c1-c1cnc(C)c(C(=O)Nc2ccc(F)cc2)c1.Cc1ccn2c(-c3cccc(F)c3F)ncc2c1Cl.Cc1ccnc(C=O)c1Cl.Cc1ncc(B(O)O)cc1C(=O)Nc1ccc(F)cc1.NCc1cccc(F)c1F
InChIInChI=1S/2C27H19F3N4O.C14H9ClF2N2.C13H12BFN2O3.C7H6ClNO.C7H7F2N/c2*1-15-10-11-34-23(14-32-26(34)20-4-3-5-22(29)25(20)30)24(15)17-12-21(16(2)31-13-17)27(35)33-19-8-6-18(28)7-9-19;1-8-5-6-19-11(12(8)15)7-18-14(19)9-3-2-4-10(16)13(9)17;1-8-12(6-9(7-16-8)14(19)20)13(18)17-11-4-2-10(15)3-5-11;1-5-2-3-9-6(4-10)7(5)8;8-6-3-1-2-5(4-10)7(6)9/h2*3-14H,1-2H3,(H,33,35);2-7H,1H3;2-7,19-20H,1H3,(H,17,18);2-4H,1H3;1-3H,4,10H2
InChIKeyYYLWRTGFWMEXSW-UHFFFAOYSA-N
XLogP20.68
TPSA274.31 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001796.41
LogP ≤ 520.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid?
The IUPAC name of 8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid (CID 162050390) is 8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid.
What is the SMILES notation for 8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid?
The canonical SMILES for 8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid is Cc1ccn2c(-c3cccc(F)c3F)ncc2c1-c1cnc(C)c(C(=O)Nc2ccc(F)cc2)c1.Cc1ccn2c(-c3cccc(F)c3F)ncc2c1-c1cnc(C)c(C(=O)Nc2ccc(F)cc2)c1.Cc1ccn2c(-c3cccc(F)c3F)ncc2c1Cl.Cc1ccnc(C=O)c1Cl.Cc1ncc(B(O)O)cc1C(=O)Nc1ccc(F)cc1.NCc1cccc(F)c1F.
What is the InChIKey of 8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid?
The InChIKey is YYLWRTGFWMEXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H19F3N4O.C14H9ClF2N2.C13H12BFN2O3.C7H6ClNO.C7H7F2N/c2*1-15-10-11-34-23(14-32-26(34)20-4-3-5-22(29)25(20)30)24(15)17-12-21(16(2)31-13-17)27(35)33-19-8-6-18(28)7-9-19;1-8-5-6-19-11(12(8)15)7-18-14(19)9-3-2-4-10(16)13(9)17;1-8-12(6-9(7-16-8)14(19)20)13(18)17-11-4-2-10(15)3-5-11;1-5-2-3-9-6(4-10)7(5)8;8-6-3-1-2-5(4-10)7(6)9/h2*3-14H,1-2H3,(H,33,35);2-7H,1H3;2-7,19-20H,1H3,(H,17,18);2-4H,1H3;1-3H,4,10H2.
What are the key properties of 8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid?
8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid has a molecular weight of 1796.41 g/mol, XLogP of 20.68, 14 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridine;3-chloro-4-methylpyridine-2-carbaldehyde;(2,3-difluorophenyl)methanamine;bis(5-[3-(2,3-difluorophenyl)-7-methylimidazo[1,5-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide);[5-[(4-fluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid is sourced from PubChem (CID 162050390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).