butyl 4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine

C86H90BCl2F5IN27O7 — CID 160837247

About butyl 4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine

butyl 4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine (PubChem CID 160837247) has the molecular formula C86H90BCl2F5IN27O7 and a molecular weight of 1917.46 g/mol. Its IUPAC name is butyl 4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: butyl 4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine
• PubChem CID: 160837247
• Molecular Formula: C86H90BCl2F5IN27O7
• Molecular Weight: 1917.46 g/mol
• Exact Mass: 1915.60
• IUPAC Name: butyl 4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine
• SMILES: CC(C)n1nnnc1-c1cccc(N)n1.CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(F)cn2)n1.CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C.CCCCOC(=O)c1cc(-c2cnn(C3CC3)c2)c(F)cn1.Fc1cnc(Cl)cc1-c1cnn(C2CC2)c1.Fc1cnc(Cl)cc1I.O=C(O)c1cc(-c2cnn(C3CC3)c2)c(F)cn1
• InChI: InChI=1S/C21H20FN9O.C16H18FN3O2.C12H19BN2O2.C12H10FN3O2.C11H9ClFN3.C9H12N6.C5H2ClFIN/c1-12(2)31-20(27-28-29-31)17-4-3-5-19(25-17)26-21(32)18-8-15(16(22)10-23-18)13-9-24-30(11-13)14-6-7-14;1-2-3-6-22-16(21)15-7-13(14(17)9-18-15)11-8-19-20(10-11)12-4-5-12;1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10;13-10-5-14-11(12(17)18)3-9(10)7-4-15-16(6-7)8-1-2-8;12-11-3-9(10(13)5-14-11)7-4-15-16(6-7)8-1-2-8;1-6(2)15-9(12-13-14-15)7-4-3-5-8(10)11-7;6-5-1-4(8)3(7)2-9-5/h3-5,8-12,14H,6-7H2,1-2H3,(H,25,26,32);7-10,12H,2-6H2,1H3;7-8,10H,5-6H2,1-4H3;3-6,8H,1-2H2,(H,17,18);3-6,8H,1-2H2;3-6H,1-2H3,(H2,10,11);1-2H
• InChIKey: SHOGZHMWNOESKH-UHFFFAOYSA-N
• XLogP: 16.76
• TPSA: 403.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1917.46
LogP ≤ 5	16.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butyl 4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine?

The IUPAC name of butyl 4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine (CID 160837247) is butyl 4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine.

What is the SMILES notation for butyl 4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine?

The canonical SMILES for butyl 4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine is CC(C)n1nnnc1-c1cccc(N)n1.CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(F)cn2)n1.CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C.CCCCOC(=O)c1cc(-c2cnn(C3CC3)c2)c(F)cn1.Fc1cnc(Cl)cc1-c1cnn(C2CC2)c1.Fc1cnc(Cl)cc1I.O=C(O)c1cc(-c2cnn(C3CC3)c2)c(F)cn1.

What is the InChIKey of butyl 4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine?

The InChIKey is SHOGZHMWNOESKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN9O.C16H18FN3O2.C12H19BN2O2.C12H10FN3O2.C11H9ClFN3.C9H12N6.C5H2ClFIN/c1-12(2)31-20(27-28-29-31)17-4-3-5-19(25-17)26-21(32)18-8-15(16(22)10-23-18)13-9-24-30(11-13)14-6-7-14;1-2-3-6-22-16(21)15-7-13(14(17)9-18-15)11-8-19-20(10-11)12-4-5-12;1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10;13-10-5-14-11(12(17)18)3-9(10)7-4-15-16(6-7)8-1-2-8;12-11-3-9(10(13)5-14-11)7-4-15-16(6-7)8-1-2-8;1-6(2)15-9(12-13-14-15)7-4-3-5-8(10)11-7;6-5-1-4(8)3(7)2-9-5/h3-5,8-12,14H,6-7H2,1-2H3,(H,25,26,32);7-10,12H,2-6H2,1H3;7-8,10H,5-6H2,1-4H3;3-6,8H,1-2H2,(H,17,18);3-6,8H,1-2H2;3-6H,1-2H3,(H2,10,11);1-2H.

What are the key properties of butyl 4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine?

butyl 4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine has a molecular weight of 1917.46 g/mol, XLogP of 16.76, 21 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for butyl 4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-fluoropyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 160837247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).