N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C15H17F3N6O — CID 97390959

IUPACN-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCC(C)NC(=O)c1cnc2n1CCN(c1cc(C(F)(F)F)ncn1)C2
InChIInChI=1S/C15H17F3N6O/c1-9(2)22-14(25)10-6-19-13-7-23(3-4-24(10)13)12-5-11(15(16,17)18)20-8-21-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,22,25)
InChIKeyNMPFJXCDGJJDRN-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.85
Rot. Bonds3

About N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 97390959) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID97390959
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC NameN-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCC(C)NC(=O)c1cnc2n1CCN(c1cc(C(F)(F)F)ncn1)C2
InChIInChI=1S/C15H17F3N6O/c1-9(2)22-14(25)10-6-19-13-7-23(3-4-24(10)13)12-5-11(15(16,17)18)20-8-21-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,22,25)
InChIKeyNMPFJXCDGJJDRN-UHFFFAOYSA-N
XLogP1.85
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 73671216
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 73671217
2-[[2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-5-yl]methyl]pyrimidine-4-carbonitrile
CID 84973033
2-[(3R)-3-aminopiperidin-1-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 162676016
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 787318
N-(2-((6-(pyrrolidin-1-yl)pyrimidin-4-yl)amino)ethyl)pyrazine-2-carboxamide
CID 56920499
4-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 72149707
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}pyrazine-2-carboxamide
CID 91892426
[2-(4-Methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110270776
[2-(4-Amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110272179
(4-(6-Methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)(pyrazin-2-yl)methanone
CID 121090342
N-(2-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino}ethyl)pyrazine-2-carboxamide
CID 49676093

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 97390959) is N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is CC(C)NC(=O)c1cnc2n1CCN(c1cc(C(F)(F)F)ncn1)C2.
What is the InChIKey of N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is NMPFJXCDGJJDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-9(2)22-14(25)10-6-19-13-7-23(3-4-24(10)13)12-5-11(15(16,17)18)20-8-21-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,22,25).
What are the key properties of N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 97390959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).