5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C22H22F3N5O4 — CID 155068439

IUPAC5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N[C@@H]4CCOC4)c3)ccn2)[nH]c1C.O=C(O)C(F)(F)F
InChIInChI=1S/C20H21N5O2.C2HF3O2/c1-12-13(2)24-19(23-12)18-8-14(3-5-22-18)15-7-16(10-21-9-15)20(26)25-17-4-6-27-11-17;3-2(4,5)1(6)7/h3,5,7-10,17H,4,6,11H2,1-2H3,(H,23,24)(H,25,26);(H,6,7)/t17-;/m1./s1
InChIKeyMITSNUUIOJOAKG-UNTBIKODSA-N
MW477.44 g/mol
LogP3.30
Rot. Bonds4

About 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155068439) has the molecular formula C22H22F3N5O4 and a molecular weight of 477.44 g/mol. Its IUPAC name is 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155068439
Molecular FormulaC22H22F3N5O4
Molecular Weight477.44 g/mol
Exact Mass477.16
IUPAC Name5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N[C@@H]4CCOC4)c3)ccn2)[nH]c1C.O=C(O)C(F)(F)F
InChIInChI=1S/C20H21N5O2.C2HF3O2/c1-12-13(2)24-19(23-12)18-8-14(3-5-22-18)15-7-16(10-21-9-15)20(26)25-17-4-6-27-11-17;3-2(4,5)1(6)7/h3,5,7-10,17H,4,6,11H2,1-2H3,(H,23,24)(H,25,26);(H,6,7)/t17-;/m1./s1
InChIKeyMITSNUUIOJOAKG-UNTBIKODSA-N
XLogP3.30
TPSA130.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3,3-difluoropyrrolidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone;2,2,2-trifluoroacetic acid
CID 155068418
N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide
CID 129315443
5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155068465
2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide
CID 129315730
(4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone
CID 129315725
1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile
CID 129315759
[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 129315527
3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid
CID 129315845
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125174867
4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid
CID 129315872
2-amino-N-[(3S)-oxolan-3-yl]pyridine-4-carboxamide
CID 121352227

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 155068439) is 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1nc(-c2cc(-c3cncc(C(=O)N[C@@H]4CCOC4)c3)ccn2)[nH]c1C.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MITSNUUIOJOAKG-UNTBIKODSA-N. The full InChI is InChI=1S/C20H21N5O2.C2HF3O2/c1-12-13(2)24-19(23-12)18-8-14(3-5-22-18)15-7-16(10-21-9-15)20(26)25-17-4-6-27-11-17;3-2(4,5)1(6)7/h3,5,7-10,17H,4,6,11H2,1-2H3,(H,23,24)(H,25,26);(H,6,7)/t17-;/m1./s1.
What are the key properties of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 477.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155068439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).