N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide

C17H16FN5O — CID 25356221

IUPACN-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cn1
InChIInChI=1S/C17H16FN5O/c1-11-9-21-14(10-20-11)17(24)22-15(16-19-6-7-23(16)2)12-4-3-5-13(18)8-12/h3-10,15H,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyQKWLNAINSVRQOA-OAHLLOKOSA-N
MW325.35 g/mol
LogP2.18
Rot. Bonds4

About N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide

N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 25356221) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
PubChem CID25356221
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC NameN-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cn1
InChIInChI=1S/C17H16FN5O/c1-11-9-21-14(10-20-11)17(24)22-15(16-19-6-7-23(16)2)12-4-3-5-13(18)8-12/h3-10,15H,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyQKWLNAINSVRQOA-OAHLLOKOSA-N
XLogP2.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 31503143
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 47014697
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 55651703
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 25341523
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 25368073
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47014678
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
CID 17452746
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47014692
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27900176
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide
CID 40939581

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide (CID 25356221) is N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cn1.
What is the InChIKey of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is QKWLNAINSVRQOA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-11-9-21-14(10-20-11)17(24)22-15(16-19-6-7-23(16)2)12-4-3-5-13(18)8-12/h3-10,15H,1-2H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide?
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 325.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 25356221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).