6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one

C18H19N3O2 — CID 170023172

IUPAC6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one
SMILESCC1C=CC(c2c[nH]c3ncc(N4CCOCC4)cc23)=CC1=O
InChIInChI=1S/C18H19N3O2/c1-12-2-3-13(8-17(12)22)16-11-20-18-15(16)9-14(10-19-18)21-4-6-23-7-5-21/h2-3,8-12H,4-7H2,1H3,(H,19,20)
InChIKeySXVAQNKOYDXGHR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.56
Rot. Bonds2

About 6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one

6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one (PubChem CID 170023172) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one
PubChem CID170023172
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one
SMILESCC1C=CC(c2c[nH]c3ncc(N4CCOCC4)cc23)=CC1=O
InChIInChI=1S/C18H19N3O2/c1-12-2-3-13(8-17(12)22)16-11-20-18-15(16)9-14(10-19-18)21-4-6-23-7-5-21/h2-3,8-12H,4-7H2,1H3,(H,19,20)
InChIKeySXVAQNKOYDXGHR-UHFFFAOYSA-N
XLogP2.56
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 146570466
N-[1-(1-iodo-2-methyl-2,3-dihydropyrrol-4-yl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 163794001
1-[[3-(2-methoxyethoxy)phenyl]methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyridin-2-ol
CID 135332619
4-[3-[2-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine
CID 146570398
4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine
CID 146570395
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide
CID 146610083
1-[1-(3,5-dichlorophenyl)-2-(dimethylamino)ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 168851190
4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
CID 170009427
2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
CID 129162842
[5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 146570463
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-phenylethyl)pyrimidine-2-carboxamide
CID 146610079
4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
CID 59811985

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one (CID 170023172) is 6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one is CC1C=CC(c2c[nH]c3ncc(N4CCOCC4)cc23)=CC1=O.
What is the InChIKey of 6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one?
The InChIKey is SXVAQNKOYDXGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-2-3-13(8-17(12)22)16-11-20-18-15(16)9-14(10-19-18)21-4-6-23-7-5-21/h2-3,8-12H,4-7H2,1H3,(H,19,20).
What are the key properties of 6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one?
6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one has a molecular weight of 309.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 170023172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).