(Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen

C26H33FN8O2 — CID 165131042

About (Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen

(Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen (PubChem CID 165131042) has the molecular formula C26H33FN8O2 and a molecular weight of 508.60 g/mol. Its IUPAC name is (Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen.

Molecular Properties

• Compound Name: (Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen
• PubChem CID: 165131042
• Molecular Formula: C26H33FN8O2
• Molecular Weight: 508.60 g/mol
• Exact Mass: 508.27
• IUPAC Name: (Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen
• SMILES: COc1ccc(C(/C=C\N)=C/N)c(CNC(=O)/C(=C/NCc2cn3cc(C4CC4)ccc3n2)NN)c1F.[H][H]
• InChI: InChI=1S/C26H31FN8O2.H2/c1-37-23-6-5-20(17(10-29)8-9-28)21(25(23)27)12-32-26(36)22(34-30)13-31-11-19-15-35-14-18(16-2-3-16)4-7-24(35)33-19;/h4-10,13-16,31,34H,2-3,11-12,28-30H2,1H3,(H,32,36);1H/b9-8-,17-10+,22-13-
• InChIKey: HJHJUGIIGMLKBK-VSTPUEHJSA-N
• XLogP: 2.09
• TPSA: 157.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.60
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen?

The IUPAC name of (Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen (CID 165131042) is (Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen.

What is the SMILES notation for (Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen?

The canonical SMILES for (Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen is COc1ccc(C(/C=C\N)=C/N)c(CNC(=O)/C(=C/NCc2cn3cc(C4CC4)ccc3n2)NN)c1F.[H][H].

What is the InChIKey of (Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen?

The InChIKey is HJHJUGIIGMLKBK-VSTPUEHJSA-N. The full InChI is InChI=1S/C26H31FN8O2.H2/c1-37-23-6-5-20(17(10-29)8-9-28)21(25(23)27)12-32-26(36)22(34-30)13-31-11-19-15-35-14-18(16-2-3-16)4-7-24(35)33-19;/h4-10,13-16,31,34H,2-3,11-12,28-30H2,1H3,(H,32,36);1H/b9-8-,17-10+,22-13-;.

What are the key properties of (Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen?

(Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen has a molecular weight of 508.60 g/mol, XLogP of 2.09, 11 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-N-[[6-[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]-2-fluoro-3-methoxyphenyl]methyl]-2-hydrazinylprop-2-enamide;molecular hydrogen is sourced from PubChem (CID 165131042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).