(E)-1-[1-[2-(5-acetyl-2-pyridinyl)acetyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-1-[2-(5-methoxy-2-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-N-methylbenzamide;6-[2-[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid;6-[2-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid

C136H119Cl4F4N31O16 — CID 161427271

About (E)-1-[1-[2-(5-acetyl-2-pyridinyl)acetyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-1-[2-(5-methoxy-2-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-N-methylbenzamide;6-[2-[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid;6-[2-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid

(E)-1-[1-[2-(5-acetyl-2-pyridinyl)acetyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-1-[2-(5-methoxy-2-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-N-methylbenzamide;6-[2-[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid;6-[2-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid (PubChem CID 161427271) has the molecular formula C136H119Cl4F4N31O16 and a molecular weight of 2661.45 g/mol. Its IUPAC name is (E)-1-[1-[2-(5-acetyl-2-pyridinyl)acetyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-1-[2-(5-methoxy-2-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-N-methylbenzamide;6-[2-[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid;6-[2-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: (E)-1-[1-[2-(5-acetyl-2-pyridinyl)acetyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-1-[2-(5-methoxy-2-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-N-methylbenzamide;6-[2-[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid;6-[2-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid
• PubChem CID: 161427271
• Molecular Formula: C136H119Cl4F4N31O16
• Molecular Weight: 2661.45 g/mol
• Exact Mass: 2657.81
• IUPAC Name: (E)-1-[1-[2-(5-acetyl-2-pyridinyl)acetyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-1-[2-(5-methoxy-2-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-N-methylbenzamide;6-[2-[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid;6-[2-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid
• SMILES: CC(=O)c1ccc(CC(=O)C2c3cccc(-c4cnn(CCN5CCOCC5)c4)c3CCN2C(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)nc1.CN1CCC(c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@@H]3C(=O)Cc2ccc(C(=O)O)cn2)CC1.CNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)C3C(=O)Cc2ccc(OC)cn2)cc1.Cn1cc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)C3C(=O)Cc2ccc(C(=O)O)cn2)cn1
• InChI: InChI=1S/C37H35ClFN9O4.C35H29ClFN7O4.C33H31ClFN7O4.C31H24ClFN8O4/c1-24(49)25-5-6-27(40-20-25)19-34(50)37-30-4-2-3-28(26-21-42-46(22-26)14-13-45-15-17-52-18-16-45)29(30)11-12-47(37)35(51)10-7-31-33(48-23-41-43-44-48)9-8-32(38)36(31)39;1-38-35(47)22-8-6-21(7-9-22)25-4-3-5-27-26(25)16-17-43(34(27)31(45)18-23-10-11-24(48-2)19-39-23)32(46)15-12-28-30(44-20-40-41-42-44)14-13-29(36)33(28)37;1-40-14-11-20(12-15-40)23-3-2-4-25-24(23)13-16-41(32(25)29(43)17-22-6-5-21(18-36-22)33(45)46)30(44)10-7-26-28(42-19-37-38-39-42)9-8-27(34)31(26)35;1-39-16-19(15-36-39)21-3-2-4-23-22(21)11-12-40(30(23)27(42)13-20-6-5-18(14-34-20)31(44)45)28(43)10-7-24-26(41-17-35-37-38-41)9-8-25(32)29(24)33/h2-10,20-23,37H,11-19H2,1H3;3-15,19-20,34H,16-18H2,1-2H3,(H,38,47);2-10,18-20,32H,11-17H2,1H3,(H,45,46);2-10,14-17,30H,11-13H2,1H3,(H,44,45)/b10-7+;15-12+;2*10-7+/t;;32-;/m..0./s1
• InChIKey: VXNJYOAJGJMCMU-GZIUVWNASA-N
• XLogP: 17.24
• TPSA: 556.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 36
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2661.45
LogP ≤ 5	17.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-[1-[2-(5-acetyl-2-pyridinyl)acetyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-1-[2-(5-methoxy-2-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-N-methylbenzamide;6-[2-[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid;6-[2-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid?

The IUPAC name of (E)-1-[1-[2-(5-acetyl-2-pyridinyl)acetyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-1-[2-(5-methoxy-2-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-N-methylbenzamide;6-[2-[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid;6-[2-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid (CID 161427271) is (E)-1-[1-[2-(5-acetyl-2-pyridinyl)acetyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-1-[2-(5-methoxy-2-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-N-methylbenzamide;6-[2-[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid;6-[2-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid.

What is the SMILES notation for (E)-1-[1-[2-(5-acetyl-2-pyridinyl)acetyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-1-[2-(5-methoxy-2-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-N-methylbenzamide;6-[2-[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid;6-[2-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid?

The canonical SMILES for (E)-1-[1-[2-(5-acetyl-2-pyridinyl)acetyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-1-[2-(5-methoxy-2-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-N-methylbenzamide;6-[2-[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid;6-[2-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid is CC(=O)c1ccc(CC(=O)C2c3cccc(-c4cnn(CCN5CCOCC5)c4)c3CCN2C(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)nc1.CN1CCC(c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@@H]3C(=O)Cc2ccc(C(=O)O)cn2)CC1.CNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)C3C(=O)Cc2ccc(OC)cn2)cc1.Cn1cc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)C3C(=O)Cc2ccc(C(=O)O)cn2)cn1.

What is the InChIKey of (E)-1-[1-[2-(5-acetyl-2-pyridinyl)acetyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-1-[2-(5-methoxy-2-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-N-methylbenzamide;6-[2-[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid;6-[2-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid?

The InChIKey is VXNJYOAJGJMCMU-GZIUVWNASA-N. The full InChI is InChI=1S/C37H35ClFN9O4.C35H29ClFN7O4.C33H31ClFN7O4.C31H24ClFN8O4/c1-24(49)25-5-6-27(40-20-25)19-34(50)37-30-4-2-3-28(26-21-42-46(22-26)14-13-45-15-17-52-18-16-45)29(30)11-12-47(37)35(51)10-7-31-33(48-23-41-43-44-48)9-8-32(38)36(31)39;1-38-35(47)22-8-6-21(7-9-22)25-4-3-5-27-26(25)16-17-43(34(27)31(45)18-23-10-11-24(48-2)19-39-23)32(46)15-12-28-30(44-20-40-41-42-44)14-13-29(36)33(28)37;1-40-14-11-20(12-15-40)23-3-2-4-25-24(23)13-16-41(32(25)29(43)17-22-6-5-21(18-36-22)33(45)46)30(44)10-7-26-28(42-19-37-38-39-42)9-8-27(34)31(26)35;1-39-16-19(15-36-39)21-3-2-4-23-22(21)11-12-40(30(23)27(42)13-20-6-5-18(14-34-20)31(44)45)28(43)10-7-24-26(41-17-35-37-38-41)9-8-25(32)29(24)33/h2-10,20-23,37H,11-19H2,1H3;3-15,19-20,34H,16-18H2,1-2H3,(H,38,47);2-10,18-20,32H,11-17H2,1H3,(H,45,46);2-10,14-17,30H,11-13H2,1H3,(H,44,45)/b10-7+;15-12+;2*10-7+/t;;32-;/m..0./s1.

What are the key properties of (E)-1-[1-[2-(5-acetyl-2-pyridinyl)acetyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-1-[2-(5-methoxy-2-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-N-methylbenzamide;6-[2-[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid;6-[2-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid?

(E)-1-[1-[2-(5-acetyl-2-pyridinyl)acetyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-1-[2-(5-methoxy-2-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-N-methylbenzamide;6-[2-[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid;6-[2-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid has a molecular weight of 2661.45 g/mol, XLogP of 17.24, 36 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[1-[2-(5-acetyl-2-pyridinyl)acetyl]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-1-[2-(5-methoxy-2-pyridinyl)acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-N-methylbenzamide;6-[2-[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid;6-[2-[2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 161427271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).