4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine

C22H21ClN6O — CID 146316018

IUPAC4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
SMILESCc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C22H21ClN6O/c1-14-26-19-4-3-18(15-6-7-25-21(24)12-15)27-22(19)29(14)16-2-5-20(17(23)13-16)28-8-10-30-11-9-28/h2-7,12-13H,8-11H2,1H3,(H2,24,25)
InChIKeyQADIFKFWTXRYQB-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.86
Rot. Bonds3

About 4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine

4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine (PubChem CID 146316018) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is 4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
PubChem CID146316018
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC Name4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
SMILESCc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C22H21ClN6O/c1-14-26-19-4-3-18(15-6-7-25-21(24)12-15)27-22(19)29(14)16-2-5-20(17(23)13-16)28-8-10-30-11-9-28/h2-7,12-13H,8-11H2,1H3,(H2,24,25)
InChIKeyQADIFKFWTXRYQB-UHFFFAOYSA-N
XLogP3.86
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[2-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
CID 146316096
4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
CID 146316045
4-[3-[3,5-dichloro-4-(4-prop-2-ynylpiperazin-1-yl)phenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
CID 171629668
ethane;4-[3-[3-fluoro-4-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]phenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
CID 171629564
4-[3-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-3,5-difluorophenyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
CID 171629472
(1S,5R)-9-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
CID 146315914
4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane
CID 171806383
4-[4-(3-fluoro-4-morpholin-4-ylphenyl)quinolin-6-yl]pyridin-2-amine
CID 170641307
2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline
CID 82105878
4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine
CID 170641373
4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine
CID 91674817
4-[3-[3-phenyl-2-(1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]morpholine
CID 71138371

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine (CID 146316018) is 4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine is Cc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of 4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine?
The InChIKey is QADIFKFWTXRYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-14-26-19-4-3-18(15-6-7-25-21(24)12-15)27-22(19)29(14)16-2-5-20(17(23)13-16)28-8-10-30-11-9-28/h2-7,12-13H,8-11H2,1H3,(H2,24,25).
What are the key properties of 4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine?
4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine has a molecular weight of 420.90 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chloro-4-morpholin-4-ylphenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridin-2-amine is sourced from PubChem (CID 146316018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).