3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole

C20H23ClN4 — CID 15068996

IUPAC3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole
SMILESCC(Cc1c[nH]c2ccccc12)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C20H23ClN4/c1-15(13-16-14-22-18-6-3-2-5-17(16)18)24-9-11-25(12-10-24)20-8-4-7-19(21)23-20/h2-8,14-15,22H,9-13H2,1H3
InChIKeyKSZMCSXCUVDDHZ-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.97
Rot. Bonds4

About 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole

3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole (PubChem CID 15068996) has the molecular formula C20H23ClN4 and a molecular weight of 354.88 g/mol. Its IUPAC name is 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole
PubChem CID15068996
Molecular FormulaC20H23ClN4
Molecular Weight354.88 g/mol
Exact Mass354.16
IUPAC Name3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole
SMILESCC(Cc1c[nH]c2ccccc12)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C20H23ClN4/c1-15(13-16-14-22-18-6-3-2-5-17(16)18)24-9-11-25(12-10-24)20-8-4-7-19(21)23-20/h2-8,14-15,22H,9-13H2,1H3
InChIKeyKSZMCSXCUVDDHZ-UHFFFAOYSA-N
XLogP3.97
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(1H-indol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689655
7-[4-(1H-indol-3-yl)butan-2-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 156586557
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 60593019
3-(2-fluoropropyl)-1H-indole
CID 142409179
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 46855458
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
N-(1H-indol-3-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 61034726
[1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol
CID 145241325
2-[1-(1H-indol-3-yl)propan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3160835
N-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine
CID 44591282
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole (CID 15068996) is 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole is CC(Cc1c[nH]c2ccccc12)N1CCN(c2cccc(Cl)n2)CC1.
What is the InChIKey of 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole?
The InChIKey is KSZMCSXCUVDDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4/c1-15(13-16-14-22-18-6-3-2-5-17(16)18)24-9-11-25(12-10-24)20-8-4-7-19(21)23-20/h2-8,14-15,22H,9-13H2,1H3.
What are the key properties of 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole?
3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole has a molecular weight of 354.88 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 15068996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).