2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone

C15H18ClN5O — CID 94758676

IUPAC2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cn1c(C2CC2)nc2cc(Cl)cnc21)N1CCNCC1
InChIInChI=1S/C15H18ClN5O/c16-11-7-12-15(18-8-11)21(14(19-12)10-1-2-10)9-13(22)20-5-3-17-4-6-20/h7-8,10,17H,1-6,9H2
InChIKeyKCUUFXDZIZUFOL-UHFFFAOYSA-N
MW319.80 g/mol
LogP1.39
Rot. Bonds3

About 2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone

2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone (PubChem CID 94758676) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone
PubChem CID94758676
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cn1c(C2CC2)nc2cc(Cl)cnc21)N1CCNCC1
InChIInChI=1S/C15H18ClN5O/c16-11-7-12-15(18-8-11)21(14(19-12)10-1-2-10)9-13(22)20-5-3-17-4-6-20/h7-8,10,17H,1-6,9H2
InChIKeyKCUUFXDZIZUFOL-UHFFFAOYSA-N
XLogP1.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone (CID 94758676) is 2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone is O=C(Cn1c(C2CC2)nc2cc(Cl)cnc21)N1CCNCC1.
What is the InChIKey of 2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone?
The InChIKey is KCUUFXDZIZUFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c16-11-7-12-15(18-8-11)21(14(19-12)10-1-2-10)9-13(22)20-5-3-17-4-6-20/h7-8,10,17H,1-6,9H2.
What are the key properties of 2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone?
2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone has a molecular weight of 319.80 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-cyclopropylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 94758676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).