ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate

C15H19N3O2 — CID 79471338

IUPACethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3nccc(C)c3[nH]2)CCCC1
InChIInChI=1S/C15H19N3O2/c1-3-20-14(19)15(7-4-5-8-15)13-17-11-10(2)6-9-16-12(11)18-13/h6,9H,3-5,7-8H2,1-2H3,(H,16,17,18)
InChIKeyRHSVWQHWYPTCRC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.64
Rot. Bonds3

About ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate

ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate (PubChem CID 79471338) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate
PubChem CID79471338
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3nccc(C)c3[nH]2)CCCC1
InChIInChI=1S/C15H19N3O2/c1-3-20-14(19)15(7-4-5-8-15)13-17-11-10(2)6-9-16-12(11)18-13/h6,9H,3-5,7-8H2,1-2H3,(H,16,17,18)
InChIKeyRHSVWQHWYPTCRC-UHFFFAOYSA-N
XLogP2.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate (CID 79471338) is ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate is CCOC(=O)C1(c2nc3nccc(C)c3[nH]2)CCCC1.
What is the InChIKey of ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate?
The InChIKey is RHSVWQHWYPTCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-20-14(19)15(7-4-5-8-15)13-17-11-10(2)6-9-16-12(11)18-13/h6,9H,3-5,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate?
ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79471338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).