6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole

C30H43N5O — CID 71573345

IUPAC6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole
SMILESCC(C)n1ccc2c(OCC3CC(C)(C)NC(C)(C)C3)cc(-c3ccc(N4CCNCC4)nc3)cc21
InChIInChI=1S/C30H43N5O/c1-21(2)35-12-9-25-26(35)15-24(23-7-8-28(32-19-23)34-13-10-31-11-14-34)16-27(25)36-20-22-17-29(3,4)33-30(5,6)18-22/h7-9,12,15-16,19,21-22,31,33H,10-11,13-14,17-18,20H2,1-6H3
InChIKeyHNHULOIWQJGFGU-UHFFFAOYSA-N
MW489.71 g/mol
LogP5.63
Rot. Bonds6

About 6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole

6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole (PubChem CID 71573345) has the molecular formula C30H43N5O and a molecular weight of 489.71 g/mol. Its IUPAC name is 6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole.

Molecular Properties

Compound Name6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole
PubChem CID71573345
Molecular FormulaC30H43N5O
Molecular Weight489.71 g/mol
Exact Mass489.35
IUPAC Name6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole
SMILESCC(C)n1ccc2c(OCC3CC(C)(C)NC(C)(C)C3)cc(-c3ccc(N4CCNCC4)nc3)cc21
InChIInChI=1S/C30H43N5O/c1-21(2)35-12-9-25-26(35)15-24(23-7-8-28(32-19-23)34-13-10-31-11-14-34)16-27(25)36-20-22-17-29(3,4)33-30(5,6)18-22/h7-9,12,15-16,19,21-22,31,33H,10-11,13-14,17-18,20H2,1-6H3
InChIKeyHNHULOIWQJGFGU-UHFFFAOYSA-N
XLogP5.63
TPSA54.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.71
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole with MolForge

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Launch Full Analysis

Related Compounds

1-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-one
CID 159307571
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533
5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 141215033
3-fluoro-1-methoxy-1-[4-(6-piperazin-1-yl-3-pyridinyl)phenyl]propan-2-amine
CID 142457050
3-[[[6-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-3-methyl-1-propan-2-ylindol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 123168676
N-[(4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide
CID 123466223
6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 139425322
1-butan-2-yl-N-[(6-methoxy-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide
CID 130287190
1,4-bis[5-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-2-pyridinyl]-1,4-diazepane;methanesulfonic acid
CID 20634982
1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride
CID 23133526
5,8-diethyl-3-piperazin-1-ylisoquinoline;hydrochloride
CID 23321153
2-[[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methoxy]-5-piperazin-1-ylpyrazine
CID 143780648

Frequently Asked Questions

What is the IUPAC name of 6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole?
The IUPAC name of 6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole (CID 71573345) is 6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole.
What is the SMILES notation for 6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole?
The canonical SMILES for 6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole is CC(C)n1ccc2c(OCC3CC(C)(C)NC(C)(C)C3)cc(-c3ccc(N4CCNCC4)nc3)cc21.
What is the InChIKey of 6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole?
The InChIKey is HNHULOIWQJGFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N5O/c1-21(2)35-12-9-25-26(35)15-24(23-7-8-28(32-19-23)34-13-10-31-11-14-34)16-27(25)36-20-22-17-29(3,4)33-30(5,6)18-22/h7-9,12,15-16,19,21-22,31,33H,10-11,13-14,17-18,20H2,1-6H3.
What are the key properties of 6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole?
6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole has a molecular weight of 489.71 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole is sourced from PubChem (CID 71573345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).