3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

C18H19F3N6O — CID 139358063

IUPAC3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCOCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C18H19F3N6O/c1-28-11-12-3-2-6-26(9-12)15-4-5-22-17(25-15)13-7-24-16-8-23-14(10-27(13)16)18(19,20)21/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3
InChIKeyNOYNRXOSVUUQIE-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.07
Rot. Bonds4

About 3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139358063) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139358063
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCOCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C18H19F3N6O/c1-28-11-12-3-2-6-26(9-12)15-4-5-22-17(25-15)13-7-24-16-8-23-14(10-27(13)16)18(19,20)21/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3
InChIKeyNOYNRXOSVUUQIE-UHFFFAOYSA-N
XLogP3.07
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(oxan-3-yl)-2-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-2,4-diamine
CID 128210340
8-[4-(2-Fluoroethyl)piperazin-1-yl]-2-methyl-9-(oxan-4-yl)purine
CID 123456780
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide
CID 139343257
Methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate
CID 139343358
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343435
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343437
3-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-1-ol
CID 139343579
[(3S,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane
CID 139350913
3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol
CID 139357537
(Z)-3-imino-2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]prop-1-en-1-amine
CID 139357601
3-[4-(3,4-Dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139357602
[(3R,5S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methanamine
CID 139357651

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139358063) is 3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is COCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is NOYNRXOSVUUQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c1-28-11-12-3-2-6-26(9-12)15-4-5-22-17(25-15)13-7-24-16-8-23-14(10-27(13)16)18(19,20)21/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3.
What are the key properties of 3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 392.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139358063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).