1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone

C23H26ClN5O3 — CID 71492582

IUPAC1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C23H26ClN5O3/c1-15(30)28-8-6-18(7-9-28)32-23-25-20-14-19(24)21(26-22(20)27-23)16-2-4-17(5-3-16)29-10-12-31-13-11-29/h2-5,14,18H,6-13H2,1H3,(H,25,26,27)
InChIKeyFPGGOLVRSLJTMC-UHFFFAOYSA-N
MW455.95 g/mol
LogP3.50
Rot. Bonds4

About 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone

1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone (PubChem CID 71492582) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone
PubChem CID71492582
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC Name1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C23H26ClN5O3/c1-15(30)28-8-6-18(7-9-28)32-23-25-20-14-19(24)21(26-22(20)27-23)16-2-4-17(5-3-16)29-10-12-31-13-11-29/h2-5,14,18H,6-13H2,1H3,(H,25,26,27)
InChIKeyFPGGOLVRSLJTMC-UHFFFAOYSA-N
XLogP3.50
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone (CID 71492582) is 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone is CC(=O)N1CCC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1.
What is the InChIKey of 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone?
The InChIKey is FPGGOLVRSLJTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c1-15(30)28-8-6-18(7-9-28)32-23-25-20-14-19(24)21(26-22(20)27-23)16-2-4-17(5-3-16)29-10-12-31-13-11-29/h2-5,14,18H,6-13H2,1H3,(H,25,26,27).
What are the key properties of 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone?
1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone has a molecular weight of 455.95 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 71492582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).