(1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine

C19H18FN5 — CID 70871812

IUPAC(1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine
SMILESCc1nc(-c2cnc([C@H](N)Cc3c[nH]c4ccccc34)[nH]2)ccc1F
InChIInChI=1S/C19H18FN5/c1-11-14(20)6-7-17(24-11)18-10-23-19(25-18)15(21)8-12-9-22-16-5-3-2-4-13(12)16/h2-7,9-10,15,22H,8,21H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyGQRAWVIZQIYEQK-OAHLLOKOSA-N
MW335.39 g/mol
LogP3.64
Rot. Bonds4

About (1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine

(1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine (PubChem CID 70871812) has the molecular formula C19H18FN5 and a molecular weight of 335.39 g/mol. Its IUPAC name is (1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine
PubChem CID70871812
Molecular FormulaC19H18FN5
Molecular Weight335.39 g/mol
Exact Mass335.15
IUPAC Name(1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine
SMILESCc1nc(-c2cnc([C@H](N)Cc3c[nH]c4ccccc34)[nH]2)ccc1F
InChIInChI=1S/C19H18FN5/c1-11-14(20)6-7-17(24-11)18-10-23-19(25-18)15(21)8-12-9-22-16-5-3-2-4-13(12)16/h2-7,9-10,15,22H,8,21H2,1H3,(H,23,25)/t15-/m1/s1
InChIKeyGQRAWVIZQIYEQK-OAHLLOKOSA-N
XLogP3.64
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine with MolForge

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Related Compounds

(1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 104911666
CID 161183001
CID 161183001
(1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine
CID 82387349
4-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3-dihydroimidazol-2-one
CID 141250301
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1-(1H-indol-3-yl)butan-2-amine
CID 8367
(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140660880
ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
CID 143255366
3-(2-fluoropropyl)-1H-indole
CID 142409179
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-one
CID 82385854
CID 90360713
CID 90360713
(1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104911668

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of (1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine (CID 70871812) is (1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for (1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for (1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine is Cc1nc(-c2cnc([C@H](N)Cc3c[nH]c4ccccc34)[nH]2)ccc1F.
What is the InChIKey of (1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine?
The InChIKey is GQRAWVIZQIYEQK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18FN5/c1-11-14(20)6-7-17(24-11)18-10-23-19(25-18)15(21)8-12-9-22-16-5-3-2-4-13(12)16/h2-7,9-10,15,22H,8,21H2,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of (1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine?
(1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine has a molecular weight of 335.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 70871812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).