N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide

C23H20FN7O — CID 58973162

IUPACN-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide
SMILESO=C(Nc1ccc(F)c(Nc2nccn2-c2cc(NC3CC3)ncn2)c1)c1ccccc1
InChIInChI=1S/C23H20FN7O/c24-18-9-8-17(29-22(32)15-4-2-1-3-5-15)12-19(18)30-23-25-10-11-31(23)21-13-20(26-14-27-21)28-16-6-7-16/h1-5,8-14,16H,6-7H2,(H,25,30)(H,29,32)(H,26,27,28)
InChIKeyIYZGLYSXZXNGRD-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.37
Rot. Bonds7

About N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide

N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide (PubChem CID 58973162) has the molecular formula C23H20FN7O and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide
PubChem CID58973162
Molecular FormulaC23H20FN7O
Molecular Weight429.46 g/mol
Exact Mass429.17
IUPAC NameN-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide
SMILESO=C(Nc1ccc(F)c(Nc2nccn2-c2cc(NC3CC3)ncn2)c1)c1ccccc1
InChIInChI=1S/C23H20FN7O/c24-18-9-8-17(29-22(32)15-4-2-1-3-5-15)12-19(18)30-23-25-10-11-31(23)21-13-20(26-14-27-21)28-16-6-7-16/h1-5,8-14,16H,6-7H2,(H,25,30)(H,29,32)(H,26,27,28)
InChIKeyIYZGLYSXZXNGRD-UHFFFAOYSA-N
XLogP4.37
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11526081
N-[4-chloro-3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-3-(dimethylamino)-5-(trifluoromethyl)benzamide
CID 58973092
N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzamide
CID 11700006
N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-iodophenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 70878591
N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide
CID 11592556
N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 58973057
(5-tert-butyl-3-methylfuran-2-yl) N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]carbamate
CID 70869653
3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide
CID 161446543
6-(2-chloroimidazol-1-yl)-N-cyclopropylpyrimidin-4-amine
CID 58973138
N-[4-methyl-3-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide
CID 91211398
N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide
CID 90719951
2,3,4-trifluoro-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122291877

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide?
The IUPAC name of N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide (CID 58973162) is N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide.
What is the SMILES notation for N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide?
The canonical SMILES for N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide is O=C(Nc1ccc(F)c(Nc2nccn2-c2cc(NC3CC3)ncn2)c1)c1ccccc1.
What is the InChIKey of N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide?
The InChIKey is IYZGLYSXZXNGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O/c24-18-9-8-17(29-22(32)15-4-2-1-3-5-15)12-19(18)30-23-25-10-11-31(23)21-13-20(26-14-27-21)28-16-6-7-16/h1-5,8-14,16H,6-7H2,(H,25,30)(H,29,32)(H,26,27,28).
What are the key properties of N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide?
N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide has a molecular weight of 429.46 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide is sourced from PubChem (CID 58973162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).