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

C35H49N5O2 — CID 159307571

IUPAC1-[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
SMILESCN1CCN(c2ccc(-c3cc(C(=O)CCC4CC(C)(C)NC(C)(C)C4)c4ccn(C5CCOCC5)c4c3)cn2)CC1
InChIInChI=1S/C35H49N5O2/c1-34(2)22-25(23-35(3,4)37-34)6-8-32(41)30-20-27(21-31-29(30)10-13-40(31)28-11-18-42-19-12-28)26-7-9-33(36-24-26)39-16-14-38(5)15-17-39/h7,9-10,13,20-21,24-25,28,37H,6,8,11-12,14-19,22-23H2,1-5H3
InChIKeyPAEDBLHHALOLTF-UHFFFAOYSA-N
MW571.81 g/mol
LogP6.33
Rot. Bonds7

About 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

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 (PubChem CID 159307571) has the molecular formula C35H49N5O2 and a molecular weight of 571.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159307571
Molecular FormulaC35H49N5O2
Molecular Weight571.81 g/mol
Exact Mass571.39
IUPAC Name1-[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
SMILESCN1CCN(c2ccc(-c3cc(C(=O)CCC4CC(C)(C)NC(C)(C)C4)c4ccn(C5CCOCC5)c4c3)cn2)CC1
InChIInChI=1S/C35H49N5O2/c1-34(2)22-25(23-35(3,4)37-34)6-8-32(41)30-20-27(21-31-29(30)10-13-40(31)28-11-18-42-19-12-28)26-7-9-33(36-24-26)39-16-14-38(5)15-17-39/h7,9-10,13,20-21,24-25,28,37H,6,8,11-12,14-19,22-23H2,1-5H3
InChIKeyPAEDBLHHALOLTF-UHFFFAOYSA-N
XLogP6.33
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.81
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one
CID 159733484
N-[(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indole-4-carboxamide
CID 137026438
6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-yl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)methoxy]indole
CID 71573345
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methyl-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-ylmethyl)indole-6-carboxamide
CID 118227006
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide
CID 90143771
3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1-methyl-3-oxo-7-propyl-2,5,6,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 118255925
1-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]ethanone
CID 22893150
3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1-methyl-3-oxo-7-propan-2-yl-2,5,6,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 118256009
N-[(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)methyl]-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[oxan-4-yl(propanoyl)amino]benzamide
CID 137245006
2-[3-[6-[6-[4-[2-(1-adamantyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazol-4-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one
CID 157201844
2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801577
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56739291

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCN(c2ccc(-c3cc(C(=O)CCC4CC(C)(C)NC(C)(C)C4)c4ccn(C5CCOCC5)c4c3)cn2)CC1.
What is the InChIKey of 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?
The InChIKey is PAEDBLHHALOLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49N5O2/c1-34(2)22-25(23-35(3,4)37-34)6-8-32(41)30-20-27(21-31-29(30)10-13-40(31)28-11-18-42-19-12-28)26-7-9-33(36-24-26)39-16-14-38(5)15-17-39/h7,9-10,13,20-21,24-25,28,37H,6,8,11-12,14-19,22-23H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 571.81 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159307571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).