(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl] acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate

C124H138BClN42O16 — CID 164993521

About (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl] acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate

(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl] acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate (PubChem CID 164993521) has the molecular formula C124H138BClN42O16 and a molecular weight of 2519.01 g/mol. Its IUPAC name is (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl] acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate.

Molecular Properties

• Compound Name: (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl] acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate
• PubChem CID: 164993521
• Molecular Formula: C124H138BClN42O16
• Molecular Weight: 2519.01 g/mol
• Exact Mass: 2517.11
• IUPAC Name: (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl] acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate
• SMILES: CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(C)cn2)n1.CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C.COC(=O)c1cc(-c2cnn(C3CC3)c2)c(C)cn1.COC(=O)c1cc(Cl)c(C)cn1.C[C@H](CO)n1nnnc1-c1cccc(N)n1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)O)cc1-c1cnn(C2CC2)c1
• InChI: InChI=1S/C24H25N9O3.2C22H23N9O2.C14H15N3O2.C13H13N3O2.C12H19BN2O2.C9H12N6O.C8H8ClNO2/c1-14-10-25-21(9-19(14)17-11-26-32(12-17)18-7-8-18)24(35)28-22-6-4-5-20(27-22)23-29-30-31-33(23)15(2)13-36-16(3)34;2*1-13-9-23-19(8-17(13)15-10-24-30(11-15)16-6-7-16)22(33)26-20-5-3-4-18(25-20)21-27-28-29-31(21)14(2)12-32;1-9-6-15-13(14(18)19-2)5-12(9)10-7-16-17(8-10)11-3-4-11;1-8-5-14-12(13(17)18)4-11(8)9-6-15-16(7-9)10-2-3-10;1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10;1-6(5-16)15-9(12-13-14-15)7-3-2-4-8(10)11-7;1-5-4-10-7(3-6(5)9)8(11)12-2/h4-6,9-12,15,18H,7-8,13H2,1-3H3,(H,27,28,35);2*3-5,8-11,14,16,32H,6-7,12H2,1-2H3,(H,25,26,33);5-8,11H,3-4H2,1-2H3;4-7,10H,2-3H2,1H3,(H,17,18);7-8,10H,5-6H2,1-4H3;2-4,6,16H,5H2,1H3,(H2,10,11);3-4H,1-2H3/t15-;2*14-;;;;6-;/m111...1./s1
• InChIKey: HFCPEGKPIXPWJH-ZDGVVJMYSA-N
• XLogP: 15.78
• TPSA: 718.89 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 54
• Rotatable Bonds: 34
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2519.01
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl] acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate?

The IUPAC name of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl] acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate (CID 164993521) is (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl] acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate.

What is the SMILES notation for (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl] acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate?

The canonical SMILES for (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl] acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate is CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(C)cn2)n1.CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C.COC(=O)c1cc(-c2cnn(C3CC3)c2)c(C)cn1.COC(=O)c1cc(Cl)c(C)cn1.C[C@H](CO)n1nnnc1-c1cccc(N)n1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)O)cc1-c1cnn(C2CC2)c1.

What is the InChIKey of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl] acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate?

The InChIKey is HFCPEGKPIXPWJH-ZDGVVJMYSA-N. The full InChI is InChI=1S/C24H25N9O3.2C22H23N9O2.C14H15N3O2.C13H13N3O2.C12H19BN2O2.C9H12N6O.C8H8ClNO2/c1-14-10-25-21(9-19(14)17-11-26-32(12-17)18-7-8-18)24(35)28-22-6-4-5-20(27-22)23-29-30-31-33(23)15(2)13-36-16(3)34;2*1-13-9-23-19(8-17(13)15-10-24-30(11-15)16-6-7-16)22(33)26-20-5-3-4-18(25-20)21-27-28-29-31(21)14(2)12-32;1-9-6-15-13(14(18)19-2)5-12(9)10-7-16-17(8-10)11-3-4-11;1-8-5-14-12(13(17)18)4-11(8)9-6-15-16(7-9)10-2-3-10;1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10;1-6(5-16)15-9(12-13-14-15)7-3-2-4-8(10)11-7;1-5-4-10-7(3-6(5)9)8(11)12-2/h4-6,9-12,15,18H,7-8,13H2,1-3H3,(H,27,28,35);2*3-5,8-11,14,16,32H,6-7,12H2,1-2H3,(H,25,26,33);5-8,11H,3-4H2,1-2H3;4-7,10H,2-3H2,1H3,(H,17,18);7-8,10H,5-6H2,1-4H3;2-4,6,16H,5H2,1H3,(H2,10,11);3-4H,1-2H3/t15-;2*14-;;;;6-;/m111...1./s1.

What are the key properties of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl] acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate?

(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl] acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate has a molecular weight of 2519.01 g/mol, XLogP of 15.78, 34 rotatable bonds, 8 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl] acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 164993521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).