N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid

C21H23F3N4O3 — CID 166216553

IUPACN-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESCOc1ccc2c(c1)CCCC2CNCc1cnc2cnccn12.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N4O.C2HF3O2/c1-24-17-5-6-18-14(9-17)3-2-4-15(18)10-21-11-16-12-22-19-13-20-7-8-23(16)19;3-2(4,5)1(6)7/h5-9,12-13,15,21H,2-4,10-11H2,1H3;(H,6,7)
InChIKeyLKDSFZCKYRXBBS-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.58
Rot. Bonds5

About N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid

N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 166216553) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid
PubChem CID166216553
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC NameN-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESCOc1ccc2c(c1)CCCC2CNCc1cnc2cnccn12.O=C(O)C(F)(F)F
InChIInChI=1S/C19H22N4O.C2HF3O2/c1-24-17-5-6-18-14(9-17)3-2-4-15(18)10-21-11-16-12-22-19-13-20-7-8-23(16)19;3-2(4,5)1(6)7/h5-9,12-13,15,21H,2-4,10-11H2,1H3;(H,6,7)
InChIKeyLKDSFZCKYRXBBS-UHFFFAOYSA-N
XLogP3.58
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 77107324
3,3,3-trifluoro-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
CID 86794394
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 126812140
N-(1-hydroxy-2-methylpropan-2-yl)-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 110000682
1-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550930
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide
CID 86839663
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 47072614
2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 94661738
N-[4-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]cyclohexyl]acetamide
CID 99635785
3-[[(1R)-6-(3-methoxyanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 155315093
4-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]benzene-1,4-dicarboxamide
CID 91648652
4-N-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzene-1,4-dicarboxamide
CID 99640978

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid (CID 166216553) is N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid is COc1ccc2c(c1)CCCC2CNCc1cnc2cnccn12.O=C(O)C(F)(F)F.
What is the InChIKey of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is LKDSFZCKYRXBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.C2HF3O2/c1-24-17-5-6-18-14(9-17)3-2-4-15(18)10-21-11-16-12-22-19-13-20-7-8-23(16)19;3-2(4,5)1(6)7/h5-9,12-13,15,21H,2-4,10-11H2,1H3;(H,6,7).
What are the key properties of N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid?
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 436.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166216553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).