N-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide

C27H28ClN5O3 — CID 56932840

IUPACN-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C27H28ClN5O3/c1-17(34)32-27(2,3)19-6-10-21(11-7-19)36-26-29-23-16-22(28)24(30-25(23)31-26)18-4-8-20(9-5-18)33-12-14-35-15-13-33/h4-11,16H,12-15H2,1-3H3,(H,32,34)(H,29,30,31)
InChIKeyHKZKLVLRADUWDI-UHFFFAOYSA-N
MW506.01 g/mol
LogP5.28
Rot. Bonds6

About N-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide

N-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide (PubChem CID 56932840) has the molecular formula C27H28ClN5O3 and a molecular weight of 506.01 g/mol. Its IUPAC name is N-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide
PubChem CID56932840
Molecular FormulaC27H28ClN5O3
Molecular Weight506.01 g/mol
Exact Mass505.19
IUPAC NameN-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C27H28ClN5O3/c1-17(34)32-27(2,3)19-6-10-21(11-7-19)36-26-29-23-16-22(28)24(30-25(23)31-26)18-4-8-20(9-5-18)33-12-14-35-15-13-33/h4-11,16H,12-15H2,1-3H3,(H,32,34)(H,29,30,31)
InChIKeyHKZKLVLRADUWDI-UHFFFAOYSA-N
XLogP5.28
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.01
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide (CID 56932840) is N-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1ccc(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)cc1.
What is the InChIKey of N-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide?
The InChIKey is HKZKLVLRADUWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O3/c1-17(34)32-27(2,3)19-6-10-21(11-7-19)36-26-29-23-16-22(28)24(30-25(23)31-26)18-4-8-20(9-5-18)33-12-14-35-15-13-33/h4-11,16H,12-15H2,1-3H3,(H,32,34)(H,29,30,31).
What are the key properties of N-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide?
N-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide has a molecular weight of 506.01 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 56932840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).