N-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide

C24H23ClFN9O2 — CID 175621112

IUPACN-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide
SMILESCOc1ccc(-n2cc(Cl)nn2)c(CNC(=O)C(/C=N/Cc2cn3cc(C4CC4)ccc3n2)=NN)c1F
InChIInChI=1S/C24H23ClFN9O2/c1-37-20-6-5-19(35-13-21(25)32-33-35)17(23(20)26)9-29-24(36)18(31-27)10-28-8-16-12-34-11-15(14-2-3-14)4-7-22(34)30-16/h4-7,10-14H,2-3,8-9,27H2,1H3,(H,29,36)/b28-10+,31-18?
InChIKeyYEDIPDYTFBUQIY-BELGSGSSSA-N
MW523.96 g/mol
LogP2.80
Rot. Bonds9

About N-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide

N-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide (PubChem CID 175621112) has the molecular formula C24H23ClFN9O2 and a molecular weight of 523.96 g/mol. Its IUPAC name is N-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide.

Molecular Properties

Compound NameN-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide
PubChem CID175621112
Molecular FormulaC24H23ClFN9O2
Molecular Weight523.96 g/mol
Exact Mass523.16
IUPAC NameN-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide
SMILESCOc1ccc(-n2cc(Cl)nn2)c(CNC(=O)C(/C=N/Cc2cn3cc(C4CC4)ccc3n2)=NN)c1F
InChIInChI=1S/C24H23ClFN9O2/c1-37-20-6-5-19(35-13-21(25)32-33-35)17(23(20)26)9-29-24(36)18(31-27)10-28-8-16-12-34-11-15(14-2-3-14)4-7-22(34)30-16/h4-7,10-14H,2-3,8-9,27H2,1H3,(H,29,36)/b28-10+,31-18?
InChIKeyYEDIPDYTFBUQIY-BELGSGSSSA-N
XLogP2.80
TPSA137.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.96
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide?
The IUPAC name of N-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide (CID 175621112) is N-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide.
What is the SMILES notation for N-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide?
The canonical SMILES for N-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide is COc1ccc(-n2cc(Cl)nn2)c(CNC(=O)C(/C=N/Cc2cn3cc(C4CC4)ccc3n2)=NN)c1F.
What is the InChIKey of N-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide?
The InChIKey is YEDIPDYTFBUQIY-BELGSGSSSA-N. The full InChI is InChI=1S/C24H23ClFN9O2/c1-37-20-6-5-19(35-13-21(25)32-33-35)17(23(20)26)9-29-24(36)18(31-27)10-28-8-16-12-34-11-15(14-2-3-14)4-7-22(34)30-16/h4-7,10-14H,2-3,8-9,27H2,1H3,(H,29,36)/b28-10+,31-18?.
What are the key properties of N-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide?
N-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide has a molecular weight of 523.96 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chlorotriazol-1-yl)-2-fluoro-3-methoxyphenyl]methyl]-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-2-hydrazinylidenepropanamide is sourced from PubChem (CID 175621112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).