3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole

C21H27N5O — CID 15288327

IUPAC3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole
SMILESCOc1cncnc1N1CCN(CCCc2c[nH]c3ccccc23)CC1C
InChIInChI=1S/C21H27N5O/c1-16-14-25(10-11-26(16)21-20(27-2)13-22-15-24-21)9-5-6-17-12-23-19-8-4-3-7-18(17)19/h3-4,7-8,12-13,15-16,23H,5-6,9-11,14H2,1-2H3
InChIKeyAWMGVOVIVJCBHL-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.11
Rot. Bonds6

About 3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole

3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole (PubChem CID 15288327) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole
PubChem CID15288327
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole
SMILESCOc1cncnc1N1CCN(CCCc2c[nH]c3ccccc23)CC1C
InChIInChI=1S/C21H27N5O/c1-16-14-25(10-11-26(16)21-20(27-2)13-22-15-24-21)9-5-6-17-12-23-19-8-4-3-7-18(17)19/h3-4,7-8,12-13,15-16,23H,5-6,9-11,14H2,1-2H3
InChIKeyAWMGVOVIVJCBHL-UHFFFAOYSA-N
XLogP3.11
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole-5-carbonitrile
CID 19090007
4-[4-[3-(1-benzothiophen-3-yl)propyl]-2-methylpiperazin-1-yl]-5-methoxypyrimidine;hydrochloride
CID 19081475
N-[3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indol-5-yl]ethanesulfonamide;hydrate;hydrochloride
CID 19921670
N-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indol-5-amine;hydrate;hydrochloride
CID 67834529
3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol
CID 15288320
3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole
CID 15288310
methyl 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxylate
CID 15288323
3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-5-nitro-1H-indole
CID 19962039
3-[4-[4-[5-(2-methoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464770
1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]pyrrolidin-2-one
CID 15288311
3-[[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]methylamino]-4-methylcyclobut-3-ene-1,2-dione
CID 54374423
N-[1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]-2-phenylethyl]methanesulfonamide
CID 69097935

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole (CID 15288327) is 3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole is COc1cncnc1N1CCN(CCCc2c[nH]c3ccccc23)CC1C.
What is the InChIKey of 3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole?
The InChIKey is AWMGVOVIVJCBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-14-25(10-11-26(16)21-20(27-2)13-22-15-24-21)9-5-6-17-12-23-19-8-4-3-7-18(17)19/h3-4,7-8,12-13,15-16,23H,5-6,9-11,14H2,1-2H3.
What are the key properties of 3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole?
3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole has a molecular weight of 365.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 15288327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).