6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide

C21H22FN7O — CID 139540756

IUPAC6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide
SMILESC/C(N)=C(\c1cn(-c2ccc(C(=O)NC3CC3)cn2)cn1)N(N)c1ccc(F)cc1
InChIInChI=1S/C21H22FN7O/c1-13(23)20(29(24)17-7-3-15(22)4-8-17)18-11-28(12-26-18)19-9-2-14(10-25-19)21(30)27-16-5-6-16/h2-4,7-12,16H,5-6,23-24H2,1H3,(H,27,30)/b20-13-
InChIKeyBLPLIFDAZVCNAX-MOSHPQCFSA-N
MW407.45 g/mol
LogP2.33
Rot. Bonds6

About 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide

6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide (PubChem CID 139540756) has the molecular formula C21H22FN7O and a molecular weight of 407.45 g/mol. Its IUPAC name is 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide
PubChem CID139540756
Molecular FormulaC21H22FN7O
Molecular Weight407.45 g/mol
Exact Mass407.19
IUPAC Name6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide
SMILESC/C(N)=C(\c1cn(-c2ccc(C(=O)NC3CC3)cn2)cn1)N(N)c1ccc(F)cc1
InChIInChI=1S/C21H22FN7O/c1-13(23)20(29(24)17-7-3-15(22)4-8-17)18-11-28(12-26-18)19-9-2-14(10-25-19)21(30)27-16-5-6-16/h2-4,7-12,16H,5-6,23-24H2,1H3,(H,27,30)/b20-13-
InChIKeyBLPLIFDAZVCNAX-MOSHPQCFSA-N
XLogP2.33
TPSA115.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 139540952
6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 139540960
6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 57378788
N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952761
6-[4-[(Z)-2-amino-1-[amino(methyl)amino]-2-(2-fluorophenyl)ethenyl]imidazol-1-yl]-N-(3-methyloxetan-3-yl)pyridine-3-carboxamide
CID 139540942
N-cycloheptyl-1-[5-(cyclopropanecarbonylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 53157027
6-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110091031
N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
CID 53111052
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439
N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47016815
N-cyclopropyl-1-(2-methoxyphenyl)imidazole-4-carboxamide
CID 166264438
N-cyclohexyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654230

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide (CID 139540756) is 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide is C/C(N)=C(\c1cn(-c2ccc(C(=O)NC3CC3)cn2)cn1)N(N)c1ccc(F)cc1.
What is the InChIKey of 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is BLPLIFDAZVCNAX-MOSHPQCFSA-N. The full InChI is InChI=1S/C21H22FN7O/c1-13(23)20(29(24)17-7-3-15(22)4-8-17)18-11-28(12-26-18)19-9-2-14(10-25-19)21(30)27-16-5-6-16/h2-4,7-12,16H,5-6,23-24H2,1H3,(H,27,30)/b20-13-.
What are the key properties of 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide?
6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 139540756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).