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

C40H42Cl2N10O4 — CID 158589306

IUPAC6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;4-[2-[4-(6-chloro-7-pyrrol-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine
SMILESClc1cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c2c1-n1cccc1.Nc1c(Cl)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C22H22ClN5O2.C18H20ClN5O2/c23-18-15-24-22-19(20(18)28-7-1-2-8-28)25-21(26-22)16-3-5-17(6-4-16)30-14-11-27-9-12-29-13-10-27;19-14-11-21-18-16(15(14)20)22-17(23-18)12-1-3-13(4-2-12)26-10-7-24-5-8-25-9-6-24/h1-8,15H,9-14H2,(H,24,25,26);1-4,11H,5-10H2,(H3,20,21,22,23)
InChIKeyHUGARKPRRBTXRP-UHFFFAOYSA-N
MW797.75 g/mol
LogP6.35
Rot. Bonds11

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

6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;4-[2-[4-(6-chloro-7-pyrrol-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine (PubChem CID 158589306) has the molecular formula C40H42Cl2N10O4 and a molecular weight of 797.75 g/mol. Its IUPAC name is 6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;4-[2-[4-(6-chloro-7-pyrrol-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;4-[2-[4-(6-chloro-7-pyrrol-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine
PubChem CID158589306
Molecular FormulaC40H42Cl2N10O4
Molecular Weight797.75 g/mol
Exact Mass796.28
IUPAC Name6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;4-[2-[4-(6-chloro-7-pyrrol-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine
SMILESClc1cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c2c1-n1cccc1.Nc1c(Cl)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C22H22ClN5O2.C18H20ClN5O2/c23-18-15-24-22-19(20(18)28-7-1-2-8-28)25-21(26-22)16-3-5-17(6-4-16)30-14-11-27-9-12-29-13-10-27;19-14-11-21-18-16(15(14)20)22-17(23-18)12-1-3-13(4-2-12)26-10-7-24-5-8-25-9-6-24/h1-8,15H,9-14H2,(H,24,25,26);1-4,11H,5-10H2,(H3,20,21,22,23)
InChIKeyHUGARKPRRBTXRP-UHFFFAOYSA-N
XLogP6.35
TPSA157.49 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500797.75
LogP ≤ 56.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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

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Related Compounds

6-Chloro-N-methyl-2-[4-[2-(4-morpholinyl)ethoxy]phenyl]-3H-imidazo[4,5-b]pyridin-7-amine
CID 10023121
2-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 137368762
5-[5-[(4-Methoxyphenyl)methyl]-10-morpholin-4-yl-1,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl]pyrimidin-2-amine
CID 52917607
6-chloro-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 127037981
6-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 127039917
6-chloro-2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 127041238
6-chloro-2-(4-methoxyphenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 127041861
5-[4-[(4-Methoxyphenyl)methyl]-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl]pyrimidin-2-amine
CID 137633055
5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
CID 137368907
4-[5-[4-[4-[5-(3-fluoro-4-methoxy-phenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413822
4-[5-[4-[4-[5-[4-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413933
US11420970, Example 181
CID 156073161

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;4-[2-[4-(6-chloro-7-pyrrol-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;4-[2-[4-(6-chloro-7-pyrrol-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine (CID 158589306) is 6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;4-[2-[4-(6-chloro-7-pyrrol-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;4-[2-[4-(6-chloro-7-pyrrol-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;4-[2-[4-(6-chloro-7-pyrrol-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine is Clc1cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c2c1-n1cccc1.Nc1c(Cl)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12.
What is the InChIKey of 6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;4-[2-[4-(6-chloro-7-pyrrol-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine?
The InChIKey is HUGARKPRRBTXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2.C18H20ClN5O2/c23-18-15-24-22-19(20(18)28-7-1-2-8-28)25-21(26-22)16-3-5-17(6-4-16)30-14-11-27-9-12-29-13-10-27;19-14-11-21-18-16(15(14)20)22-17(23-18)12-1-3-13(4-2-12)26-10-7-24-5-8-25-9-6-24/h1-8,15H,9-14H2,(H,24,25,26);1-4,11H,5-10H2,(H3,20,21,22,23).
What are the key properties of 6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;4-[2-[4-(6-chloro-7-pyrrol-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine?
6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;4-[2-[4-(6-chloro-7-pyrrol-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine has a molecular weight of 797.75 g/mol, XLogP of 6.35, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;4-[2-[4-(6-chloro-7-pyrrol-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 158589306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).