[(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

C23H25F3N6O — CID 139344503

IUPAC[(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
SMILESC[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)N1C(=O)C1(C)CC1
InChIInChI=1S/C23H25F3N6O/c1-14-11-30(12-15(2)32(14)21(33)22(3)7-8-22)19-6-9-27-20(29-19)17-10-28-18-5-4-16(13-31(17)18)23(24,25)26/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3/t14-,15+
InChIKeyWNXWJXOJFHQCBP-GASCZTMLSA-N
MW458.49 g/mol
LogP4.04
Rot. Bonds3

About [(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

[(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 (PubChem CID 139344503) has the molecular formula C23H25F3N6O and a molecular weight of 458.49 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID139344503
Molecular FormulaC23H25F3N6O
Molecular Weight458.49 g/mol
Exact Mass458.20
IUPAC Name[(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
SMILESC[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)N1C(=O)C1(C)CC1
InChIInChI=1S/C23H25F3N6O/c1-14-11-30(12-15(2)32(14)21(33)22(3)7-8-22)19-6-9-27-20(29-19)17-10-28-18-5-4-16(13-31(17)18)23(24,25)26/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3/t14-,15+
InChIKeyWNXWJXOJFHQCBP-GASCZTMLSA-N
XLogP4.04
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(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 with MolForge

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Related Compounds

6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344720
(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
(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344396
4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 139344298
3-[4-[(3S)-4-cyclopropyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane;S-methylthiohydroxylamine
CID 153331595
(3R,5S)-5-(5-methyl-1H-pyrazol-4-yl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-ol
CID 139344554
(2S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine
CID 139344880
1-[4-[(2R)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3,4-dihydropyrazole-2-carbonyl]cyclopropane-1-carbonitrile
CID 139365225
6,6-dimethyl-8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane
CID 139344806
3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344386
(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
1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 139344409

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](C)N1C(=O)C1(C)CC1.
What is the InChIKey of [(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?
The InChIKey is WNXWJXOJFHQCBP-GASCZTMLSA-N. The full InChI is InChI=1S/C23H25F3N6O/c1-14-11-30(12-15(2)32(14)21(33)22(3)7-8-22)19-6-9-27-20(29-19)17-10-28-18-5-4-16(13-31(17)18)23(24,25)26/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3/t14-,15+.
What are the key properties of [(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?
[(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 has a molecular weight of 458.49 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 139344503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).