2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-[3-[(E)-4-hydroxypent-1-enyl]pyrazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-oxopent-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid;pent-4-en-2-ol;pyrrolidine

C118H158BrN19O20 — CID 158384085

About 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-[3-[(E)-4-hydroxypent-1-enyl]pyrazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-oxopent-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid;pent-4-en-2-ol;pyrrolidine

2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-[3-[(E)-4-hydroxypent-1-enyl]pyrazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-oxopent-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid;pent-4-en-2-ol;pyrrolidine (PubChem CID 158384085) has the molecular formula C118H158BrN19O20 and a molecular weight of 2242.58 g/mol. Its IUPAC name is 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-[3-[(E)-4-hydroxypent-1-enyl]pyrazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-oxopent-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid;pent-4-en-2-ol;pyrrolidine.

Molecular Properties

• Compound Name: 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-[3-[(E)-4-hydroxypent-1-enyl]pyrazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-oxopent-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid;pent-4-en-2-ol;pyrrolidine
• PubChem CID: 158384085
• Molecular Formula: C118H158BrN19O20
• Molecular Weight: 2242.58 g/mol
• Exact Mass: 2240.11
• IUPAC Name: 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-[3-[(E)-4-hydroxypent-1-enyl]pyrazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-oxopent-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid;pent-4-en-2-ol;pyrrolidine
• SMILES: C1CCNC1.C=CCC(C)O.COc1ccc(C(CC(=O)O)n2ccc(CCCc3ccc4c(n3)CCCC4)n2)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ccc(/C=C/CC(C)=O)n2)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ccc(/C=C/CC(C)O)n2)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ccc(Br)n2)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ccc(CCCC(C)=O)n2)cn1.Nc1ncccc1C=O
• InChI: InChI=1S/C24H28N4O3.2C21H29N3O4.C21H27N3O4.C16H20BrN3O3.C6H6N2O.C5H10O.C4H9N/c1-31-23-12-10-18(16-25-23)22(15-24(29)30)28-14-13-20(27-28)7-4-6-19-11-9-17-5-2-3-8-21(17)26-19;3*1-15(25)7-6-8-17-11-12-24(23-17)18(13-20(26)28-21(2,3)4)16-9-10-19(27-5)22-14-16;1-16(2,3)23-15(21)9-12(20-8-7-13(17)19-20)11-5-6-14(22-4)18-10-11;7-6-5(4-9)2-1-3-8-6;1-3-4-5(2)6;1-2-4-5-3-1/h9-14,16,22H,2-8,15H2,1H3,(H,29,30);9-12,14,18H,6-8,13H2,1-5H3;6,8-12,14-15,18,25H,7,13H2,1-5H3;6,8-12,14,18H,7,13H2,1-5H3;5-8,10,12H,9H2,1-4H3;1-4H,(H2,7,8);3,5-6H,1,4H2,2H3;5H,1-4H2/b;;2*8-6+
• InChIKey: GWDSAHFCCZKNAV-GJNZZZDASA-N
• XLogP: 19.47
• TPSA: 497.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 42
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2242.58
LogP ≤ 5	19.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-[3-[(E)-4-hydroxypent-1-enyl]pyrazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-oxopent-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid;pent-4-en-2-ol;pyrrolidine?

The IUPAC name of 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-[3-[(E)-4-hydroxypent-1-enyl]pyrazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-oxopent-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid;pent-4-en-2-ol;pyrrolidine (CID 158384085) is 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-[3-[(E)-4-hydroxypent-1-enyl]pyrazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-oxopent-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid;pent-4-en-2-ol;pyrrolidine.

What is the SMILES notation for 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-[3-[(E)-4-hydroxypent-1-enyl]pyrazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-oxopent-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid;pent-4-en-2-ol;pyrrolidine?

The canonical SMILES for 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-[3-[(E)-4-hydroxypent-1-enyl]pyrazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-oxopent-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid;pent-4-en-2-ol;pyrrolidine is C1CCNC1.C=CCC(C)O.COc1ccc(C(CC(=O)O)n2ccc(CCCc3ccc4c(n3)CCCC4)n2)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ccc(/C=C/CC(C)=O)n2)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ccc(/C=C/CC(C)O)n2)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ccc(Br)n2)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ccc(CCCC(C)=O)n2)cn1.Nc1ncccc1C=O.

What is the InChIKey of 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-[3-[(E)-4-hydroxypent-1-enyl]pyrazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-oxopent-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid;pent-4-en-2-ol;pyrrolidine?

The InChIKey is GWDSAHFCCZKNAV-GJNZZZDASA-N. The full InChI is InChI=1S/C24H28N4O3.2C21H29N3O4.C21H27N3O4.C16H20BrN3O3.C6H6N2O.C5H10O.C4H9N/c1-31-23-12-10-18(16-25-23)22(15-24(29)30)28-14-13-20(27-28)7-4-6-19-11-9-17-5-2-3-8-21(17)26-19;3*1-15(25)7-6-8-17-11-12-24(23-17)18(13-20(26)28-21(2,3)4)16-9-10-19(27-5)22-14-16;1-16(2,3)23-15(21)9-12(20-8-7-13(17)19-20)11-5-6-14(22-4)18-10-11;7-6-5(4-9)2-1-3-8-6;1-3-4-5(2)6;1-2-4-5-3-1/h9-14,16,22H,2-8,15H2,1H3,(H,29,30);9-12,14,18H,6-8,13H2,1-5H3;6,8-12,14-15,18,25H,7,13H2,1-5H3;6,8-12,14,18H,7,13H2,1-5H3;5-8,10,12H,9H2,1-4H3;1-4H,(H2,7,8);3,5-6H,1,4H2,2H3;5H,1-4H2/b;;2*8-6+;;;;.

What are the key properties of 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-[3-[(E)-4-hydroxypent-1-enyl]pyrazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-oxopent-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid;pent-4-en-2-ol;pyrrolidine?

2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-[3-[(E)-4-hydroxypent-1-enyl]pyrazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-oxopent-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid;pent-4-en-2-ol;pyrrolidine has a molecular weight of 2242.58 g/mol, XLogP of 19.47, 42 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminopyridine-3-carbaldehyde;tert-butyl 3-(3-bromopyrazol-1-yl)-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-[3-[(E)-4-hydroxypent-1-enyl]pyrazol-1-yl]-3-(6-methoxy-3-pyridinyl)propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-[(E)-4-oxopent-1-enyl]pyrazol-1-yl]propanoate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid;pent-4-en-2-ol;pyrrolidine is sourced from PubChem (CID 158384085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).