tert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

C24H28N6O3 — CID 67123588

IUPACtert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCn1c(=O)n(C2CCCN(C(=O)OC(C)(C)C)C2)c2nc(-c3cnn4ccccc34)ccc21
InChIInChI=1S/C24H28N6O3/c1-24(2,3)33-23(32)28-12-7-8-16(15-28)30-21-20(27(4)22(30)31)11-10-18(26-21)17-14-25-29-13-6-5-9-19(17)29/h5-6,9-11,13-14,16H,7-8,12,15H2,1-4H3
InChIKeyZIOJJBXYHWDIFN-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.62
Rot. Bonds2

About tert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

tert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 67123588) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is tert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
PubChem CID67123588
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Nametert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCn1c(=O)n(C2CCCN(C(=O)OC(C)(C)C)C2)c2nc(-c3cnn4ccccc34)ccc21
InChIInChI=1S/C24H28N6O3/c1-24(2,3)33-23(32)28-12-7-8-16(15-28)30-21-20(27(4)22(30)31)11-10-18(26-21)17-14-25-29-13-6-5-9-19(17)29/h5-6,9-11,13-14,16H,7-8,12,15H2,1-4H3
InChIKeyZIOJJBXYHWDIFN-UHFFFAOYSA-N
XLogP3.62
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 67123984
(3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 67123742
tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 52933663
tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate
CID 159447658
tert-butyl (3R)-3-[[6-(2,6-dimethyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 140877060
tert-butyl 3-[(6-chloro-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 134587639
tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 140877082
tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 125461639
tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59918926
7-methyl-9-(1-methylsulfonylpyrrolidin-3-yl)-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one
CID 67123815
tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 140877061
tert-butyl 3-[2-(3-methoxypropyl)benzimidazol-1-yl]piperidine-1-carboxylate
CID 66785841

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (CID 67123588) is tert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is Cn1c(=O)n(C2CCCN(C(=O)OC(C)(C)C)C2)c2nc(-c3cnn4ccccc34)ccc21.
What is the InChIKey of tert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is ZIOJJBXYHWDIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-24(2,3)33-23(32)28-12-7-8-16(15-28)30-21-20(27(4)22(30)31)11-10-18(26-21)17-14-25-29-13-6-5-9-19(17)29/h5-6,9-11,13-14,16H,7-8,12,15H2,1-4H3.
What are the key properties of tert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
tert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 448.53 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 67123588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).