4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one

C22H25N5O3 — CID 90378889

IUPAC4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one
SMILESCn1cc(N2CCN(OC3CCC3)CC2=O)c2ccc(OCc3ccccn3)nc21
InChIInChI=1S/C22H25N5O3/c1-25-13-19(27-12-11-26(14-21(27)28)30-17-6-4-7-17)18-8-9-20(24-22(18)25)29-15-16-5-2-3-10-23-16/h2-3,5,8-10,13,17H,4,6-7,11-12,14-15H2,1H3
InChIKeyDHAGAWKXXVNNEB-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.68
Rot. Bonds6

About 4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one

4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one (PubChem CID 90378889) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one
PubChem CID90378889
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one
SMILESCn1cc(N2CCN(OC3CCC3)CC2=O)c2ccc(OCc3ccccn3)nc21
InChIInChI=1S/C22H25N5O3/c1-25-13-19(27-12-11-26(14-21(27)28)30-17-6-4-7-17)18-8-9-20(24-22(18)25)29-15-16-5-2-3-10-23-16/h2-3,5,8-10,13,17H,4,6-7,11-12,14-15H2,1H3
InChIKeyDHAGAWKXXVNNEB-UHFFFAOYSA-N
XLogP2.68
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate
CID 175279671
2-methyl-6-(pyridin-2-ylmethoxy)pyridine
CID 86815736
[4-(1-ethyl-6-fluoropyrrolo[2,3-b]pyridin-3-yl)-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate
CID 174700580
3-cyclobutyloxy-1-methylimidazolidine-2,4-dione
CID 130621079
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145
2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 95569682
1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 95837242
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730
1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[2-(pyridin-2-ylmethoxy)phenyl]urea
CID 125178879
2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
3-bromo-1-methyl-6-(pyridin-3-ylmethoxy)pyrrolo[2,3-b]pyridine
CID 67951760
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one?
The IUPAC name of 4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one (CID 90378889) is 4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one.
What is the SMILES notation for 4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one?
The canonical SMILES for 4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one is Cn1cc(N2CCN(OC3CCC3)CC2=O)c2ccc(OCc3ccccn3)nc21.
What is the InChIKey of 4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one?
The InChIKey is DHAGAWKXXVNNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-25-13-19(27-12-11-26(14-21(27)28)30-17-6-4-7-17)18-8-9-20(24-22(18)25)29-15-16-5-2-3-10-23-16/h2-3,5,8-10,13,17H,4,6-7,11-12,14-15H2,1H3.
What are the key properties of 4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one?
4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one has a molecular weight of 407.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one is sourced from PubChem (CID 90378889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).