1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one

C17H22N4O2 — CID 126771623

IUPAC1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1=O
InChIInChI=1S/C17H22N4O2/c1-12(2)10-20-6-7-21(11-16(20)23)15(22)8-13-9-19-17-14(13)4-3-5-18-17/h3-5,9,12H,6-8,10-11H2,1-2H3,(H,18,19)
InChIKeyRHACVBFXFVCJCS-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.43
Rot. Bonds4

About 1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one

1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one (PubChem CID 126771623) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one
PubChem CID126771623
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1=O
InChIInChI=1S/C17H22N4O2/c1-12(2)10-20-6-7-21(11-16(20)23)15(22)8-13-9-19-17-14(13)4-3-5-18-17/h3-5,9,12H,6-8,10-11H2,1-2H3,(H,18,19)
InChIKeyRHACVBFXFVCJCS-UHFFFAOYSA-N
XLogP1.43
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 166351746
3-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120529395
1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 166239499
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 53144428
1-(1,2-oxazolidin-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 75504186
3-methyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]butan-1-one
CID 47067815
(1R,5S)-8-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-one
CID 100627987
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;hydrochloride
CID 119663151
2-[4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]morpholin-2-yl]acetic acid
CID 120527820
2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 66413194
2-[acetyl-[(4R)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]azepan-4-yl]amino]acetic acid
CID 129342694
1-(1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 71920972

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one (CID 126771623) is 1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one is CC(C)CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1=O.
What is the InChIKey of 1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one?
The InChIKey is RHACVBFXFVCJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(2)10-20-6-7-21(11-16(20)23)15(22)8-13-9-19-17-14(13)4-3-5-18-17/h3-5,9,12H,6-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one?
1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 126771623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).