4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine

C24H32N4O2 — CID 58703182

IUPAC4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine
SMILESCOc1nc(C(C)C)ccc1-c1nc2c(C)cn(CCN3CCOCC3)c2cc1C
InChIInChI=1S/C24H32N4O2/c1-16(2)20-7-6-19(24(25-20)29-5)22-17(3)14-21-23(26-22)18(4)15-28(21)9-8-27-10-12-30-13-11-27/h6-7,14-16H,8-13H2,1-5H3
InChIKeyJTNWJSHBHUAFRP-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.18
Rot. Bonds6

About 4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine

4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine (PubChem CID 58703182) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine
PubChem CID58703182
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine
SMILESCOc1nc(C(C)C)ccc1-c1nc2c(C)cn(CCN3CCOCC3)c2cc1C
InChIInChI=1S/C24H32N4O2/c1-16(2)20-7-6-19(24(25-20)29-5)22-17(3)14-21-23(26-22)18(4)15-28(21)9-8-27-10-12-30-13-11-27/h6-7,14-16H,8-13H2,1-5H3
InChIKeyJTNWJSHBHUAFRP-UHFFFAOYSA-N
XLogP4.18
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 71157729
[3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
CID 69447178
[3-[3,6-dimethyl-1-[(2S)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
CID 69436817
1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine
CID 58703168
3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 58703019
6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
CID 143014939
6-ethyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-(1-pyrrolidin-1-ylpropan-2-yl)pyrazolo[3,4-b]pyrazine
CID 59995631
6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane
CID 143580476
8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine
CID 27271084
N-[3-[6-methoxy-3-methyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-propan-2-yl-2-pyridinyl]-N-propylmorpholin-4-amine
CID 91530956
ethane;3-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-8-yl]butan-1-ol
CID 143580456
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 43552214

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine (CID 58703182) is 4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine is COc1nc(C(C)C)ccc1-c1nc2c(C)cn(CCN3CCOCC3)c2cc1C.
What is the InChIKey of 4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine?
The InChIKey is JTNWJSHBHUAFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-16(2)20-7-6-19(24(25-20)29-5)22-17(3)14-21-23(26-22)18(4)15-28(21)9-8-27-10-12-30-13-11-27/h6-7,14-16H,8-13H2,1-5H3.
What are the key properties of 4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine?
4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine has a molecular weight of 408.55 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine is sourced from PubChem (CID 58703182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).