N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C16H17F3N6 — CID 129339086

IUPACN-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESFC(F)(F)c1cn2c(n1)CC[C@@H](CNCc1cnc3cnccn13)C2
InChIInChI=1S/C16H17F3N6/c17-16(18,19)13-10-24-9-11(1-2-14(24)23-13)5-21-6-12-7-22-15-8-20-3-4-25(12)15/h3-4,7-8,10-11,21H,1-2,5-6,9H2/t11-/m0/s1
InChIKeyOAXJMAQLMOQFMD-NSHDSACASA-N
MW350.35 g/mol
LogP2.30
Rot. Bonds4

About N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129339086) has the molecular formula C16H17F3N6 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129339086
Molecular FormulaC16H17F3N6
Molecular Weight350.35 g/mol
Exact Mass350.15
IUPAC NameN-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESFC(F)(F)c1cn2c(n1)CC[C@@H](CNCc1cnc3cnccn13)C2
InChIInChI=1S/C16H17F3N6/c17-16(18,19)13-10-24-9-11(1-2-14(24)23-13)5-21-6-12-7-22-15-8-20-3-4-25(12)15/h3-4,7-8,10-11,21H,1-2,5-6,9H2/t11-/m0/s1
InChIKeyOAXJMAQLMOQFMD-NSHDSACASA-N
XLogP2.30
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129339086) is N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is FC(F)(F)c1cn2c(n1)CC[C@@H](CNCc1cnc3cnccn13)C2.
What is the InChIKey of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is OAXJMAQLMOQFMD-NSHDSACASA-N. The full InChI is InChI=1S/C16H17F3N6/c17-16(18,19)13-10-24-9-11(1-2-14(24)23-13)5-21-6-12-7-22-15-8-20-3-4-25(12)15/h3-4,7-8,10-11,21H,1-2,5-6,9H2/t11-/m0/s1.
What are the key properties of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 350.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129339086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).