(2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine

C20H25N5 — CID 22689655

IUPAC(2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
SMILESN[C@@H](Cc1c[nH]c2ccccc12)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H25N5/c21-17(13-16-14-23-19-6-2-1-5-18(16)19)15-24-9-11-25(12-10-24)20-7-3-4-8-22-20/h1-8,14,17,23H,9-13,15,21H2/t17-/m0/s1
InChIKeyZHDJNQYPYPPXIK-KRWDZBQOSA-N
MW335.45 g/mol
LogP2.25
Rot. Bonds5

About (2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine

(2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine (PubChem CID 22689655) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
PubChem CID22689655
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name(2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
SMILESN[C@@H](Cc1c[nH]c2ccccc12)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H25N5/c21-17(13-16-14-23-19-6-2-1-5-18(16)19)15-24-9-11-25(12-10-24)20-7-3-4-8-22-20/h1-8,14,17,23H,9-13,15,21H2/t17-/m0/s1
InChIKeyZHDJNQYPYPPXIK-KRWDZBQOSA-N
XLogP2.25
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-amine
CID 43650423
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8620098
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109002295
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
1-(1H-indol-3-yl)butan-2-amine
CID 8367
(2S)-2-amino-3-(1H-indol-3-yl)propane-1-thiol
CID 141276823
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367
1-(1H-indol-3-yl)-5-iodopentan-2-amine
CID 130234748
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole
CID 15068996
(1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 104911666

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine (CID 22689655) is (2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine is N[C@@H](Cc1c[nH]c2ccccc12)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of (2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine?
The InChIKey is ZHDJNQYPYPPXIK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N5/c21-17(13-16-14-23-19-6-2-1-5-18(16)19)15-24-9-11-25(12-10-24)20-7-3-4-8-22-20/h1-8,14,17,23H,9-13,15,21H2/t17-/m0/s1.
What are the key properties of (2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine?
(2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine has a molecular weight of 335.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 22689655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).