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

C20H21F3N6O — CID 139344806

IUPAC6,6-dimethyl-8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCC1(C)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC2(CNC2)O1
InChIInChI=1S/C20H21F3N6O/c1-18(2)11-28(12-19(30-18)9-24-10-19)16-5-6-25-17(27-16)14-7-26-15-4-3-13(8-29(14)15)20(21,22)23/h3-8,24H,9-12H2,1-2H3
InChIKeyNPFBZQPILGWZIF-UHFFFAOYSA-N
MW418.42 g/mol
LogP2.77
Rot. Bonds2

About 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

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 (PubChem CID 139344806) has the molecular formula C20H21F3N6O and a molecular weight of 418.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,6-dimethyl-8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane
PubChem CID139344806
Molecular FormulaC20H21F3N6O
Molecular Weight418.42 g/mol
Exact Mass418.17
IUPAC Name6,6-dimethyl-8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCC1(C)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC2(CNC2)O1
InChIInChI=1S/C20H21F3N6O/c1-18(2)11-28(12-19(30-18)9-24-10-19)16-5-6-25-17(27-16)14-7-26-15-4-3-13(8-29(14)15)20(21,22)23/h3-8,24H,9-12H2,1-2H3
InChIKeyNPFBZQPILGWZIF-UHFFFAOYSA-N
XLogP2.77
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

[(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
(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
4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 139344298
(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
3-[4-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344386
3-[4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159289603
1-(oxetan-3-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 139344409
(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344396
3-[4-[(3S)-4-cyclopropyl-3-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane;S-methylthiohydroxylamine
CID 153331595
(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
3-[4-[(2S,3S)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 155922318
3-[4-[(2S,3R)-2-methyl-3-(3-methylpyrazolidin-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 155922316

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC2(CNC2)O1.
What is the InChIKey of 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?
The InChIKey is NPFBZQPILGWZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O/c1-18(2)11-28(12-19(30-18)9-24-10-19)16-5-6-25-17(27-16)14-7-26-15-4-3-13(8-29(14)15)20(21,22)23/h3-8,24H,9-12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 418.42 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139344806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).