(1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

C23H23F3N8O — CID 139344679

IUPAC(1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C
InChIInChI=1S/C23H23F3N8O/c1-14-11-32(8-9-33(14)22(35)17-13-31(3)30-15(17)2)20-6-7-27-21(29-20)18-10-28-19-5-4-16(12-34(18)19)23(24,25)26/h4-7,10,12-14H,8-9,11H2,1-3H3
InChIKeySYGWZDHWLOMKBE-UHFFFAOYSA-N
MW484.49 g/mol
LogP3.20
Rot. Bonds3

About (1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 139344679) has the molecular formula C23H23F3N8O and a molecular weight of 484.49 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID139344679
Molecular FormulaC23H23F3N8O
Molecular Weight484.49 g/mol
Exact Mass484.19
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C
InChIInChI=1S/C23H23F3N8O/c1-14-11-32(8-9-33(14)22(35)17-13-31(3)30-15(17)2)20-6-7-27-21(29-20)18-10-28-19-5-4-16(12-34(18)19)23(24,25)26/h4-7,10,12-14H,8-9,11H2,1-3H3
InChIKeySYGWZDHWLOMKBE-UHFFFAOYSA-N
XLogP3.20
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 155922363
(1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 155922340
4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-1-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
CID 139344584
3-[4-[(3S)-4-cyclopropyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane;S-methylthiohydroxylamine
CID 153331595
[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]-(1-methylcyclopropyl)methanone
CID 139344503
(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344396
(3-hydroxy-3-methylcyclobutyl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 139344561
(2-methoxy-4-pyridinyl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 155922342
1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 139344409
4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 139344298
[(1S,2S)-2-fluorocyclopropyl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 155922348
2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 139344878

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 139344679) is (1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1nn(C)cc1C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is SYGWZDHWLOMKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N8O/c1-14-11-32(8-9-33(14)22(35)17-13-31(3)30-15(17)2)20-6-7-27-21(29-20)18-10-28-19-5-4-16(12-34(18)19)23(24,25)26/h4-7,10,12-14H,8-9,11H2,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 484.49 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[2-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 139344679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).