4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine

C51H53Cl2N9O4 — CID 87963416

IUPAC4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCC(Nc1c(Cl)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12)c1ccccc1.Cc1ccc(-c2c(Cl)cnc3nc(-c4ccc(OCCN5CCOCC5)cc4)[nH]c23)cc1
InChIInChI=1S/C26H28ClN5O2.C25H25ClN4O2/c1-18(19-5-3-2-4-6-19)29-23-22(27)17-28-26-24(23)30-25(31-26)20-7-9-21(10-8-20)34-16-13-32-11-14-33-15-12-32;1-17-2-4-18(5-3-17)22-21(26)16-27-25-23(22)28-24(29-25)19-6-8-20(9-7-19)32-15-12-30-10-13-31-14-11-30/h2-10,17-18H,11-16H2,1H3,(H2,28,29,30,31);2-9,16H,10-15H2,1H3,(H,27,28,29)
InChIKeyUGOXLKIBIFCXAM-UHFFFAOYSA-N
MW926.95 g/mol
LogP10.13
Rot. Bonds14

About 4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine

4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 87963416) has the molecular formula C51H53Cl2N9O4 and a molecular weight of 926.95 g/mol. Its IUPAC name is 4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID87963416
Molecular FormulaC51H53Cl2N9O4
Molecular Weight926.95 g/mol
Exact Mass925.36
IUPAC Name4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCC(Nc1c(Cl)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12)c1ccccc1.Cc1ccc(-c2c(Cl)cnc3nc(-c4ccc(OCCN5CCOCC5)cc4)[nH]c23)cc1
InChIInChI=1S/C26H28ClN5O2.C25H25ClN4O2/c1-18(19-5-3-2-4-6-19)29-23-22(27)17-28-26-24(23)30-25(31-26)20-7-9-21(10-8-20)34-16-13-32-11-14-33-15-12-32;1-17-2-4-18(5-3-17)22-21(26)16-27-25-23(22)28-24(29-25)19-6-8-20(9-7-19)32-15-12-30-10-13-31-14-11-30/h2-10,17-18H,11-16H2,1H3,(H2,28,29,30,31);2-9,16H,10-15H2,1H3,(H,27,28,29)
InChIKeyUGOXLKIBIFCXAM-UHFFFAOYSA-N
XLogP10.13
TPSA138.57 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500926.95
LogP ≤ 510.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 87963416) is 4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine is CC(Nc1c(Cl)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12)c1ccccc1.Cc1ccc(-c2c(Cl)cnc3nc(-c4ccc(OCCN5CCOCC5)cc4)[nH]c23)cc1.
What is the InChIKey of 4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is UGOXLKIBIFCXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2.C25H25ClN4O2/c1-18(19-5-3-2-4-6-19)29-23-22(27)17-28-26-24(23)30-25(31-26)20-7-9-21(10-8-20)34-16-13-32-11-14-33-15-12-32;1-17-2-4-18(5-3-17)22-21(26)16-27-25-23(22)28-24(29-25)19-6-8-20(9-7-19)32-15-12-30-10-13-31-14-11-30/h2-10,17-18H,11-16H2,1H3,(H2,28,29,30,31);2-9,16H,10-15H2,1H3,(H,27,28,29).
What are the key properties of 4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 926.95 g/mol, XLogP of 10.13, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 87963416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).