(3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide

C18H18F3N7O — CID 139357979

IUPAC(3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C18H18F3N7O/c1-22-17(29)11-3-2-6-27(9-11)14-4-5-23-16(26-14)12-7-25-15-8-24-13(10-28(12)15)18(19,20)21/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,22,29)/t11-/m1/s1
InChIKeyCLIULVXKUITMMG-LLVKDONJSA-N
MW405.38 g/mol
LogP2.17
Rot. Bonds3

About (3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide

(3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 139357979) has the molecular formula C18H18F3N7O and a molecular weight of 405.38 g/mol. Its IUPAC name is (3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID139357979
Molecular FormulaC18H18F3N7O
Molecular Weight405.38 g/mol
Exact Mass405.15
IUPAC Name(3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C18H18F3N7O/c1-22-17(29)11-3-2-6-27(9-11)14-4-5-23-16(26-14)12-7-25-15-8-24-13(10-28(12)15)18(19,20)21/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,22,29)/t11-/m1/s1
InChIKeyCLIULVXKUITMMG-LLVKDONJSA-N
XLogP2.17
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-{[cis-4,4-difluoro-3,5-dimethylpiperidin-1-yl]carbonyl}propyl]-9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-amine
CID 124172544
2-{1-[2-(Methylamino)-4-pyrimidinyl]-4-piperidyl}-N~1~-(2-pyrazinylmethyl)acetamide
CID 53189364
(3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one
CID 99829144
(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 126443165
1-(4,4-Difluoro-3,5-dimethylpiperidin-1-yl)-2-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]butan-1-one
CID 134519656
1-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-2-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]butan-1-one
CID 134519678
(2S)-1-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-2-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]butan-1-one
CID 134519679
(2R)-1-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-2-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]butan-1-one
CID 134519802
(2R)-1-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-2-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]butan-1-one
CID 134519803
3-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propanal
CID 139343213
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide
CID 139343257
3-[4-(2,7-Diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343289

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide (CID 139357979) is (3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide is CNC(=O)[C@@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of (3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is CLIULVXKUITMMG-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18F3N7O/c1-22-17(29)11-3-2-6-27(9-11)14-4-5-23-16(26-14)12-7-25-15-8-24-13(10-28(12)15)18(19,20)21/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,22,29)/t11-/m1/s1.
What are the key properties of (3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide?
(3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 139357979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).