ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

C19H21N5O2 — CID 21050439

IUPACethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2c(-c3ccccn3)nc3cccnc32)CC1
InChIInChI=1S/C19H21N5O2/c1-2-26-19(25)23-12-8-14(9-13-23)24-17-16(7-5-11-21-17)22-18(24)15-6-3-4-10-20-15/h3-7,10-11,14H,2,8-9,12-13H2,1H3
InChIKeyHGGBHOIHDUWNCH-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.29
Rot. Bonds3

About ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate

ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 21050439) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
PubChem CID21050439
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Nameethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2c(-c3ccccn3)nc3cccnc32)CC1
InChIInChI=1S/C19H21N5O2/c1-2-26-19(25)23-12-8-14(9-13-23)24-17-16(7-5-11-21-17)22-18(24)15-6-3-4-10-20-15/h3-7,10-11,14H,2,8-9,12-13H2,1H3
InChIKeyHGGBHOIHDUWNCH-UHFFFAOYSA-N
XLogP3.29
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate (CID 21050439) is ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(n2c(-c3ccccn3)nc3cccnc32)CC1.
What is the InChIKey of ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is HGGBHOIHDUWNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-26-19(25)23-12-8-14(9-13-23)24-17-16(7-5-11-21-17)22-18(24)15-6-3-4-10-20-15/h3-7,10-11,14H,2,8-9,12-13H2,1H3.
What are the key properties of ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate?
ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 21050439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).