N-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide

C24H28FN7O3 — CID 130284852

IUPACN-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide
SMILES[H]/N=C(/C(C)N(C=O)/C=C\c1ncc(OCCOC)cc1C)n1cc(-c2cnn(C)c2)cc(F)/c1=N\[H]
InChIInChI=1S/C24H28FN7O3/c1-16-9-20(35-8-7-34-4)12-28-22(16)5-6-31(15-33)17(2)23(26)32-14-18(10-21(25)24(32)27)19-11-29-30(3)13-19/h5-6,9-15,17,26-27H,7-8H2,1-4H3/b6-5-,26-23-,27-24+
InChIKeyUFHPGIVWZPZGGQ-PKIBLBHZSA-N
MW481.53 g/mol
LogP2.58
Rot. Bonds10

About N-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide

N-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide (PubChem CID 130284852) has the molecular formula C24H28FN7O3 and a molecular weight of 481.53 g/mol. Its IUPAC name is N-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide.

Molecular Properties

Compound NameN-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide
PubChem CID130284852
Molecular FormulaC24H28FN7O3
Molecular Weight481.53 g/mol
Exact Mass481.22
IUPAC NameN-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide
SMILES[H]/N=C(/C(C)N(C=O)/C=C\c1ncc(OCCOC)cc1C)n1cc(-c2cnn(C)c2)cc(F)/c1=N\[H]
InChIInChI=1S/C24H28FN7O3/c1-16-9-20(35-8-7-34-4)12-28-22(16)5-6-31(15-33)17(2)23(26)32-14-18(10-21(25)24(32)27)19-11-29-30(3)13-19/h5-6,9-15,17,26-27H,7-8H2,1-4H3/b6-5-,26-23-,27-24+
InChIKeyUFHPGIVWZPZGGQ-PKIBLBHZSA-N
XLogP2.58
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]-N-[(1S)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]formamide
CID 129157653
N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide
CID 130284059
1-[2,2-difluoro-2-(3-phenylmethoxyquinolin-6-yl)ethanimidoyl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridin-2-imine
CID 130284051
[3-(2-hydroxyethylamino)-4-methoxyquinolin-6-yl] 3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)pyridine-1-carboximidothioate
CID 144742770
1-[2,2-difluoro-2-(3-methoxyquinolin-6-yl)ethanimidoyl]-5-(3,5-difluorophenyl)-3-fluoropyridin-2-imine
CID 143835123
N-[(1R)-1-[3-(2-ethoxyethoxy)-5-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 171086253
3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one
CID 146640993
2-(4-fluorophenyl)-3-(2-methoxyethoxymethyl)-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine
CID 71569116
2-[[3-[5-(2-methoxyethoxy)pyrimidin-2-yl]phenyl]methyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 68507054
2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde
CID 118455142
2-fluoro-5-(1-methylpyrazol-4-yl)benzoic acid
CID 39826399
1-[4-(3-fluoro-4-methylphenyl)pyrazol-1-yl]-3-methylbutan-1-one
CID 144701315

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide?
The IUPAC name of N-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide (CID 130284852) is N-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide.
What is the SMILES notation for N-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide?
The canonical SMILES for N-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide is [H]/N=C(/C(C)N(C=O)/C=C\c1ncc(OCCOC)cc1C)n1cc(-c2cnn(C)c2)cc(F)/c1=N\[H].
What is the InChIKey of N-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide?
The InChIKey is UFHPGIVWZPZGGQ-PKIBLBHZSA-N. The full InChI is InChI=1S/C24H28FN7O3/c1-16-9-20(35-8-7-34-4)12-28-22(16)5-6-31(15-33)17(2)23(26)32-14-18(10-21(25)24(32)27)19-11-29-30(3)13-19/h5-6,9-15,17,26-27H,7-8H2,1-4H3/b6-5-,26-23-,27-24+.
What are the key properties of N-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide?
N-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide has a molecular weight of 481.53 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-2-imino-5-(1-methylpyrazol-4-yl)-1-pyridinyl]-1-iminopropan-2-yl]-N-[(Z)-2-[5-(2-methoxyethoxy)-3-methyl-2-pyridinyl]ethenyl]formamide is sourced from PubChem (CID 130284852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).