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

C23H24ClF2N5O3 — CID 90160667

IUPAC1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2,2-difluoroethanone
SMILESO=C(C(F)F)N1CCC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C23H24ClF2N5O3/c24-17-13-18-21(28-19(17)14-1-3-15(4-2-14)30-9-11-33-12-10-30)29-23(27-18)34-16-5-7-31(8-6-16)22(32)20(25)26/h1-4,13,16,20H,5-12H2,(H,27,28,29)
InChIKeySKCWRTCFBBZCTB-UHFFFAOYSA-N
MW491.93 g/mol
LogP3.75
Rot. Bonds5

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

1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2,2-difluoroethanone (PubChem CID 90160667) has the molecular formula C23H24ClF2N5O3 and a molecular weight of 491.93 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]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2,2-difluoroethanone
PubChem CID90160667
Molecular FormulaC23H24ClF2N5O3
Molecular Weight491.93 g/mol
Exact Mass491.15
IUPAC Name1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2,2-difluoroethanone
SMILESO=C(C(F)F)N1CCC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C23H24ClF2N5O3/c24-17-13-18-21(28-19(17)14-1-3-15(4-2-14)30-9-11-33-12-10-30)29-23(27-18)34-16-5-7-31(8-6-16)22(32)20(25)26/h1-4,13,16,20H,5-12H2,(H,27,28,29)
InChIKeySKCWRTCFBBZCTB-UHFFFAOYSA-N
XLogP3.75
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.93
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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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]-2,2-difluoroethanone?
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]-2,2-difluoroethanone (CID 90160667) is 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2,2-difluoroethanone.
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]-2,2-difluoroethanone?
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]-2,2-difluoroethanone is O=C(C(F)F)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]-2,2-difluoroethanone?
The InChIKey is SKCWRTCFBBZCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N5O3/c24-17-13-18-21(28-19(17)14-1-3-15(4-2-14)30-9-11-33-12-10-30)29-23(27-18)34-16-5-7-31(8-6-16)22(32)20(25)26/h1-4,13,16,20H,5-12H2,(H,27,28,29).
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]-2,2-difluoroethanone?
1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-2,2-difluoroethanone has a molecular weight of 491.93 g/mol, XLogP of 3.75, 5 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]-2,2-difluoroethanone is sourced from PubChem (CID 90160667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).