N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide

C21H23FN6O — CID 95102215

IUPACN-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
SMILESC[C@@H]1CCCCN1c1cc(-n2cnc(C(=O)NCc3ccc(F)cc3)c2)ncn1
InChIInChI=1S/C21H23FN6O/c1-15-4-2-3-9-28(15)20-10-19(24-13-25-20)27-12-18(26-14-27)21(29)23-11-16-5-7-17(22)8-6-16/h5-8,10,12-15H,2-4,9,11H2,1H3,(H,23,29)/t15-/m1/s1
InChIKeyXHRHCPZHOGCQMP-OAHLLOKOSA-N
MW394.45 g/mol
LogP3.11
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide (PubChem CID 95102215) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
PubChem CID95102215
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
SMILESC[C@@H]1CCCCN1c1cc(-n2cnc(C(=O)NCc3ccc(F)cc3)c2)ncn1
InChIInChI=1S/C21H23FN6O/c1-15-4-2-3-9-28(15)20-10-19(24-13-25-20)27-12-18(26-14-27)21(29)23-11-16-5-7-17(22)8-6-16/h5-8,10,12-15H,2-4,9,11H2,1H3,(H,23,29)/t15-/m1/s1
InChIKeyXHRHCPZHOGCQMP-OAHLLOKOSA-N
XLogP3.11
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
CID 95102212
N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172039
N-(3,4-dimethoxyphenyl)-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
CID 95102205
N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172019
6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369876
1-[(4-fluorophenyl)methyl]-3-[4-[(2S)-2-methylpiperidin-1-yl]-6-piperidin-1-ylpyrimidin-2-yl]thiourea
CID 100783263
N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172035
6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid
CID 129353783
1-[(4-fluorophenyl)methyl]-3-[4-methoxy-6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-2-yl]thiourea
CID 125045782
1-[4-chloro-6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-3-[(4-fluorophenyl)methyl]thiourea
CID 100783719
1-[(4-fluorophenyl)methyl]-3-[4-[(2S)-2-methylpiperidin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]thiourea
CID 100783342
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345258

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide (CID 95102215) is N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide is C[C@@H]1CCCCN1c1cc(-n2cnc(C(=O)NCc3ccc(F)cc3)c2)ncn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide?
The InChIKey is XHRHCPZHOGCQMP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-15-4-2-3-9-28(15)20-10-19(24-13-25-20)27-12-18(26-14-27)21(29)23-11-16-5-7-17(22)8-6-16/h5-8,10,12-15H,2-4,9,11H2,1H3,(H,23,29)/t15-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide is sourced from PubChem (CID 95102215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).