2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine

C20H22ClN3O2 — CID 90412166

IUPAC2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine
SMILESCOc1cc(Cl)ccc1-c1ccnc2[nH]c(C3CNC(C)(C)CO3)cc12
InChIInChI=1S/C20H22ClN3O2/c1-20(2)11-26-18(10-23-20)16-9-15-13(6-7-22-19(15)24-16)14-5-4-12(21)8-17(14)25-3/h4-9,18,23H,10-11H2,1-3H3,(H,22,24)
InChIKeyMLUMKTIDEGEXHP-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.33
Rot. Bonds3

About 2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine

2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine (PubChem CID 90412166) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine.

Molecular Properties

Compound Name2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine
PubChem CID90412166
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine
SMILESCOc1cc(Cl)ccc1-c1ccnc2[nH]c(C3CNC(C)(C)CO3)cc12
InChIInChI=1S/C20H22ClN3O2/c1-20(2)11-26-18(10-23-20)16-9-15-13(6-7-22-19(15)24-16)14-5-4-12(21)8-17(14)25-3/h4-9,18,23H,10-11H2,1-3H3,(H,22,24)
InChIKeyMLUMKTIDEGEXHP-UHFFFAOYSA-N
XLogP4.33
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine with MolForge

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Related Compounds

(2S)-2-[[6-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162651768
4-[5-(2-Butoxy-phenyl)-2-(4-chloro-phenyl)-3H-imidazol-4-yl]-pyridine
CID 10363819
6-N-[2-[[4-(4-chloro-2-methoxyphenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
CID 22142399
4-[5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 72706458
4-[5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 72706513
2-(2-chloro-6-fluorophenyl)-5-(6-methoxy-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 75202944
2-(2-chloro-6-fluorophenyl)-5-(4,6-dimethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 90184724
4-(5-Fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90411400
4-(4-Fluoro-2-methoxyphenyl)-2-(4-piperidinyl)-1H-pyrrolo[2,3-b]pyridine
CID 90412502
4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90412915
3-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]propane-1,2-diol
CID 90414175
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyridin-2-amine
CID 146185150

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine?
The IUPAC name of 2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine (CID 90412166) is 2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine.
What is the SMILES notation for 2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine?
The canonical SMILES for 2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine is COc1cc(Cl)ccc1-c1ccnc2[nH]c(C3CNC(C)(C)CO3)cc12.
What is the InChIKey of 2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine?
The InChIKey is MLUMKTIDEGEXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-20(2)11-26-18(10-23-20)16-9-15-13(6-7-22-19(15)24-16)14-5-4-12(21)8-17(14)25-3/h4-9,18,23H,10-11H2,1-3H3,(H,22,24).
What are the key properties of 2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine?
2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine has a molecular weight of 371.87 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5,5-dimethylmorpholine is sourced from PubChem (CID 90412166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).