5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine

C32H29Cl4N9O2 — CID 161336451

IUPAC5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine
SMILESClc1cnc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1Cl.Nc1cc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)ccc1N1CCOCC1
InChIInChI=1S/C16H15Cl2N5O.C16H14Cl2N4O/c17-10-8-20-16-14(13(10)18)21-15(22-16)9-1-2-12(11(19)7-9)23-3-5-24-6-4-23;17-12-9-19-16-14(13(12)18)20-15(21-16)10-1-3-11(4-2-10)22-5-7-23-8-6-22/h1-2,7-8H,3-6,19H2,(H,20,21,22);1-4,9H,5-8H2,(H,19,20,21)
InChIKeyVMCDUWCFGJWEPI-UHFFFAOYSA-N
MW713.46 g/mol
LogP7.12
Rot. Bonds4

About 5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine

5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine (PubChem CID 161336451) has the molecular formula C32H29Cl4N9O2 and a molecular weight of 713.46 g/mol. Its IUPAC name is 5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine
PubChem CID161336451
Molecular FormulaC32H29Cl4N9O2
Molecular Weight713.46 g/mol
Exact Mass711.12
IUPAC Name5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine
SMILESClc1cnc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1Cl.Nc1cc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)ccc1N1CCOCC1
InChIInChI=1S/C16H15Cl2N5O.C16H14Cl2N4O/c17-10-8-20-16-14(13(10)18)21-15(22-16)9-1-2-12(11(19)7-9)23-3-5-24-6-4-23;17-12-9-19-16-14(13(12)18)20-15(21-16)10-1-3-11(4-2-10)22-5-7-23-8-6-22/h1-2,7-8H,3-6,19H2,(H,20,21,22);1-4,9H,5-8H2,(H,19,20,21)
InChIKeyVMCDUWCFGJWEPI-UHFFFAOYSA-N
XLogP7.12
TPSA134.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.46
LogP ≤ 57.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline
CID 69373889
5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)aniline
CID 69213443
2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 140538831
(1S,2S,3R,4S)-3-[[6-bromo-2-(3-chloro-4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 71679171
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
[4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone
CID 25028462
[(1R,2R,3S,4S)-3-[[6-chloro-2-(3-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate
CID 118643728
3-(3-amino-4-morpholin-4-ylphenyl)-1H-pyridazin-6-one
CID 25249937
2-(3-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 141442695
2-chloro-5-morpholin-4-ylpyridin-3-amine
CID 59631039
6-chloro-N-(1-methylpiperidin-4-yl)-2-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177287
5-chloro-2-(1,4-oxazepan-4-yl)aniline
CID 62987959

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine?
The IUPAC name of 5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine (CID 161336451) is 5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine.
What is the SMILES notation for 5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine?
The canonical SMILES for 5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine is Clc1cnc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1Cl.Nc1cc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)ccc1N1CCOCC1.
What is the InChIKey of 5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine?
The InChIKey is VMCDUWCFGJWEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O.C16H14Cl2N4O/c17-10-8-20-16-14(13(10)18)21-15(22-16)9-1-2-12(11(19)7-9)23-3-5-24-6-4-23;17-12-9-19-16-14(13(12)18)20-15(21-16)10-1-3-11(4-2-10)22-5-7-23-8-6-22/h1-2,7-8H,3-6,19H2,(H,20,21,22);1-4,9H,5-8H2,(H,19,20,21).
What are the key properties of 5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine?
5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine has a molecular weight of 713.46 g/mol, XLogP of 7.12, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-morpholin-4-ylaniline;4-[4-(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]morpholine is sourced from PubChem (CID 161336451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).