N-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide

C18H18F3N7O — CID 139358730

IUPACN-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C18H18F3N7O/c1-11(29)23-6-12-3-5-27(9-12)15-2-4-22-17(26-15)13-7-25-16-8-24-14(10-28(13)16)18(19,20)21/h2,4,7-8,10,12H,3,5-6,9H2,1H3,(H,23,29)
InChIKeyLQYCOJLPWKOZCW-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.17
Rot. Bonds4

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

N-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 139358730) has the molecular formula C18H18F3N7O and a molecular weight of 405.38 g/mol. Its IUPAC name is N-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID139358730
Molecular FormulaC18H18F3N7O
Molecular Weight405.38 g/mol
Exact Mass405.15
IUPAC NameN-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C18H18F3N7O/c1-11(29)23-6-12-3-5-27(9-12)15-2-4-22-17(26-15)13-7-25-16-8-24-14(10-28(13)16)18(19,20)21/h2,4,7-8,10,12H,3,5-6,9H2,1H3,(H,23,29)
InChIKeyLQYCOJLPWKOZCW-UHFFFAOYSA-N
XLogP2.17
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide (CID 139358730) is N-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide is CC(=O)NCC1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of N-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is LQYCOJLPWKOZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N7O/c1-11(29)23-6-12-3-5-27(9-12)15-2-4-22-17(26-15)13-7-25-16-8-24-14(10-28(13)16)18(19,20)21/h2,4,7-8,10,12H,3,5-6,9H2,1H3,(H,23,29).
What are the key properties of N-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide?
N-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 405.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 139358730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).