6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one

C20H32N4O2 — CID 126541637

IUPAC6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESCCCCc1cc2c([nH]c1=O)C(C)(C)CN2C(=O)CN1CCN[C@H](C)C1
InChIInChI=1S/C20H32N4O2/c1-5-6-7-15-10-16-18(22-19(15)26)20(3,4)13-24(16)17(25)12-23-9-8-21-14(2)11-23/h10,14,21H,5-9,11-13H2,1-4H3,(H,22,26)/t14-/m1/s1
InChIKeyFXJVRJVTXVMPEV-CQSZACIVSA-N
MW360.50 g/mol
LogP1.64
Rot. Bonds5

About 6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one

6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one (PubChem CID 126541637) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one
PubChem CID126541637
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESCCCCc1cc2c([nH]c1=O)C(C)(C)CN2C(=O)CN1CCN[C@H](C)C1
InChIInChI=1S/C20H32N4O2/c1-5-6-7-15-10-16-18(22-19(15)26)20(3,4)13-24(16)17(25)12-23-9-8-21-14(2)11-23/h10,14,21H,5-9,11-13H2,1-4H3,(H,22,26)/t14-/m1/s1
InChIKeyFXJVRJVTXVMPEV-CQSZACIVSA-N
XLogP1.64
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one with MolForge

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Launch Full Analysis

Related Compounds

6-butyl-1-[2-[(2R,5R)-2-[[(2S,5R)-2,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]acetyl]-3,3-dimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one
CID 118169715
3,5-dimethoxybenzonitrile;bis(6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one);bis(4-methylmorpholine)
CID 170603197
[3-(3,4-dimethylpiperazine-1-carbonyl)phenyl]-(3,4-dimethylpiperazin-1-yl)methanone;1-ethyl-3-methylpiperazine;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridine-1-carbaldehyde
CID 170603612
6-[(4-fluorophenyl)methyl]-3,3,4-trimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2H-pyrrolo[3,2-b]pyridin-5-one
CID 126541552
1,3-dimethoxybenzene;6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1-[2-(3-methylpiperazin-1-yl)acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-1,3,3-trimethyl-2,4-dihydropyrrolo[3,2-b]pyridin-5-one;bis(4-methylmorpholine);2-(3-methylpiperazin-1-yl)acetaldehyde
CID 170603024
1-[6-(1-hydroxybutyl)-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-(3-methylpiperazin-1-yl)ethanone
CID 155197327
1-[6-(2-fluoropropan-2-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-(3-methylpiperazin-1-yl)ethanone
CID 155417797
CID 170603487
CID 170603487
1,14-bis[(3R)-4-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3-methylpiperazin-1-yl]tetradecane-1,14-dione
CID 170342811
N-[(3S)-1-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]piperidin-3-yl]-2-[4-[2-[[(3S)-1-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-5-oxo-2,4-dihydropyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]piperidin-3-yl]amino]-2-oxoethyl]phenyl]acetamide
CID 170342871
1-[6-(1,1-difluoro-3-methylbutyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-(3-methylpiperazin-1-yl)ethanone
CID 155417770
1-(6-cyclopropylsulfonyl-5-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;dihydrochloride
CID 118434104

Frequently Asked Questions

What is the IUPAC name of 6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The IUPAC name of 6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one (CID 126541637) is 6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one.
What is the SMILES notation for 6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The canonical SMILES for 6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one is CCCCc1cc2c([nH]c1=O)C(C)(C)CN2C(=O)CN1CCN[C@H](C)C1.
What is the InChIKey of 6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The InChIKey is FXJVRJVTXVMPEV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-5-6-7-15-10-16-18(22-19(15)26)20(3,4)13-24(16)17(25)12-23-9-8-21-14(2)11-23/h10,14,21H,5-9,11-13H2,1-4H3,(H,22,26)/t14-/m1/s1.
What are the key properties of 6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one?
6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one has a molecular weight of 360.50 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3,3-dimethyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,4-dihydropyrrolo[3,2-b]pyridin-5-one is sourced from PubChem (CID 126541637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).