N-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine

C19H21F3N6O — CID 164561124

IUPACN-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
SMILESC[C@H]1C[C@@H](Nc2cccc(-c3cnc4cnc(OCC(F)(F)F)cn34)n2)CCN1
InChIInChI=1S/C19H21F3N6O/c1-12-7-13(5-6-23-12)26-16-4-2-3-14(27-16)15-8-24-17-9-25-18(10-28(15)17)29-11-19(20,21)22/h2-4,8-10,12-13,23H,5-7,11H2,1H3,(H,26,27)/t12-,13-/m0/s1
InChIKeySTWNTZPYIMYUIH-STQMWFEESA-N
MW406.41 g/mol
LogP3.28
Rot. Bonds5

About N-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine

N-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine (PubChem CID 164561124) has the molecular formula C19H21F3N6O and a molecular weight of 406.41 g/mol. Its IUPAC name is N-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
PubChem CID164561124
Molecular FormulaC19H21F3N6O
Molecular Weight406.41 g/mol
Exact Mass406.17
IUPAC NameN-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
SMILESC[C@H]1C[C@@H](Nc2cccc(-c3cnc4cnc(OCC(F)(F)F)cn34)n2)CCN1
InChIInChI=1S/C19H21F3N6O/c1-12-7-13(5-6-23-12)26-16-4-2-3-14(27-16)15-8-24-17-9-25-18(10-28(15)17)29-11-19(20,21)22/h2-4,8-10,12-13,23H,5-7,11H2,1H3,(H,26,27)/t12-,13-/m0/s1
InChIKeySTWNTZPYIMYUIH-STQMWFEESA-N
XLogP3.28
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine?
The IUPAC name of N-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine (CID 164561124) is N-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine?
The canonical SMILES for N-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine is C[C@H]1C[C@@H](Nc2cccc(-c3cnc4cnc(OCC(F)(F)F)cn34)n2)CCN1.
What is the InChIKey of N-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine?
The InChIKey is STWNTZPYIMYUIH-STQMWFEESA-N. The full InChI is InChI=1S/C19H21F3N6O/c1-12-7-13(5-6-23-12)26-16-4-2-3-14(27-16)15-8-24-17-9-25-18(10-28(15)17)29-11-19(20,21)22/h2-4,8-10,12-13,23H,5-7,11H2,1H3,(H,26,27)/t12-,13-/m0/s1.
What are the key properties of N-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine?
N-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine has a molecular weight of 406.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-2-methylpiperidin-4-yl]-6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine is sourced from PubChem (CID 164561124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).