N-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine

C22H22FN3S — CID 110222148

IUPACN-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
SMILESCc1ccc(C(Cc2ccsc2)NCc2cn(C)c3ccc(F)cc23)nc1
InChIInChI=1S/C22H22FN3S/c1-15-3-5-20(24-11-15)21(9-16-7-8-27-14-16)25-12-17-13-26(2)22-6-4-18(23)10-19(17)22/h3-8,10-11,13-14,21,25H,9,12H2,1-2H3
InChIKeyOJNFYENYBWXHPB-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.16
Rot. Bonds6

About N-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine

N-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine (PubChem CID 110222148) has the molecular formula C22H22FN3S and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
PubChem CID110222148
Molecular FormulaC22H22FN3S
Molecular Weight379.50 g/mol
Exact Mass379.15
IUPAC NameN-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
SMILESCc1ccc(C(Cc2ccsc2)NCc2cn(C)c3ccc(F)cc23)nc1
InChIInChI=1S/C22H22FN3S/c1-15-3-5-20(24-11-15)21(9-16-7-8-27-14-16)25-12-17-13-26(2)22-6-4-18(23)10-19(17)22/h3-8,10-11,13-14,21,25H,9,12H2,1-2H3
InChIKeyOJNFYENYBWXHPB-UHFFFAOYSA-N
XLogP5.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 110222149
1-(5-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 110222156
3-methyl-N-[(1R)-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92559124
[1-(5-fluoro-2-pyridinyl)-2-thiophen-3-ylethyl]hydrazine
CID 105248476
N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 110222143
(1S)-N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51597033
N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54953234
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79713195
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 105137498
N-[1-(4-fluoro-2-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 81276214
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine
CID 46966617
(1S)-N-[(2-fluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51587244

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine (CID 110222148) is N-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine is Cc1ccc(C(Cc2ccsc2)NCc2cn(C)c3ccc(F)cc23)nc1.
What is the InChIKey of N-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The InChIKey is OJNFYENYBWXHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3S/c1-15-3-5-20(24-11-15)21(9-16-7-8-27-14-16)25-12-17-13-26(2)22-6-4-18(23)10-19(17)22/h3-8,10-11,13-14,21,25H,9,12H2,1-2H3.
What are the key properties of N-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
N-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine has a molecular weight of 379.50 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-methylindol-3-yl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 110222148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).