ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole

C32H50N6 — CID 159917122

IUPACethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole
SMILESCC.CC.CC.CC.c1ccc(-c2cnc(N3CCN(CCCc4c[nH]c5ccccc45)CC3)nc2)nc1
InChIInChI=1S/C24H26N6.4C2H6/c1-2-9-23-21(7-1)19(16-26-23)6-5-11-29-12-14-30(15-13-29)24-27-17-20(18-28-24)22-8-3-4-10-25-22;4*1-2/h1-4,7-10,16-18,26H,5-6,11-15H2;4*1-2H3
InChIKeyNXXQFQWPWSQZGJ-UHFFFAOYSA-N
MW518.79 g/mol
LogP7.88
Rot. Bonds6

About ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole

ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole (PubChem CID 159917122) has the molecular formula C32H50N6 and a molecular weight of 518.79 g/mol. Its IUPAC name is ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Nameethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole
PubChem CID159917122
Molecular FormulaC32H50N6
Molecular Weight518.79 g/mol
Exact Mass518.41
IUPAC Nameethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole
SMILESCC.CC.CC.CC.c1ccc(-c2cnc(N3CCN(CCCc4c[nH]c5ccccc45)CC3)nc2)nc1
InChIInChI=1S/C24H26N6.4C2H6/c1-2-9-23-21(7-1)19(16-26-23)6-5-11-29-12-14-30(15-13-29)24-27-17-20(18-28-24)22-8-3-4-10-25-22;4*1-2/h1-4,7-10,16-18,26H,5-6,11-15H2;4*1-2H3
InChIKeyNXXQFQWPWSQZGJ-UHFFFAOYSA-N
XLogP7.88
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.79
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole
CID 155606108
3-[4-[4-[5-(2-methoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464770
3-[4-[4-[5-(2,4-difluorophenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464768
3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole
CID 135178455
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
4-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2-methylphenyl]morpholine
CID 10295535
5-isocyano-3-[4-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[4-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole;5-isocyano-3-[3-[4-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-2-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole;5-isocyano-3-[3-[4-[5-(6-methyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole
CID 160811700
2-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]pyrimidin-5-yl]benzamide
CID 140880444
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595951
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 90469554

Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole (CID 159917122) is ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole is CC.CC.CC.CC.c1ccc(-c2cnc(N3CCN(CCCc4c[nH]c5ccccc45)CC3)nc2)nc1.
What is the InChIKey of ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole?
The InChIKey is NXXQFQWPWSQZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6.4C2H6/c1-2-9-23-21(7-1)19(16-26-23)6-5-11-29-12-14-30(15-13-29)24-27-17-20(18-28-24)22-8-3-4-10-25-22;4*1-2/h1-4,7-10,16-18,26H,5-6,11-15H2;4*1-2H3.
What are the key properties of ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole?
ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole has a molecular weight of 518.79 g/mol, XLogP of 7.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 159917122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).