(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine

C16H16F3N7 — CID 139358085

IUPAC(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C16H16F3N7/c17-16(18,19)12-9-26-11(6-23-14(26)7-22-12)15-21-4-3-13(24-15)25-5-1-2-10(20)8-25/h3-4,6-7,9-10H,1-2,5,8,20H2/t10-/m0/s1
InChIKeyCOFVGUXATFBMCB-JTQLQIEISA-N
MW363.35 g/mol
LogP2.13
Rot. Bonds2

About (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine

(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine (PubChem CID 139358085) has the molecular formula C16H16F3N7 and a molecular weight of 363.35 g/mol. Its IUPAC name is (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
PubChem CID139358085
Molecular FormulaC16H16F3N7
Molecular Weight363.35 g/mol
Exact Mass363.14
IUPAC Name(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C16H16F3N7/c17-16(18,19)12-9-26-11(6-23-14(26)7-22-12)15-21-4-3-13(24-15)25-5-1-2-10(20)8-25/h3-4,6-7,9-10H,1-2,5,8,20H2/t10-/m0/s1
InChIKeyCOFVGUXATFBMCB-JTQLQIEISA-N
XLogP2.13
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine?
The IUPAC name of (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine (CID 139358085) is (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine is N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine?
The InChIKey is COFVGUXATFBMCB-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16F3N7/c17-16(18,19)12-9-26-11(6-23-14(26)7-22-12)15-21-4-3-13(24-15)25-5-1-2-10(20)8-25/h3-4,6-7,9-10H,1-2,5,8,20H2/t10-/m0/s1.
What are the key properties of (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine?
(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine has a molecular weight of 363.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine is sourced from PubChem (CID 139358085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).