4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine

C19H21N3O — CID 58087682

IUPAC4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine
SMILESCc1cccc(-c2c(CN3CCOCC3)[nH]c3ncccc23)c1
InChIInChI=1S/C19H21N3O/c1-14-4-2-5-15(12-14)18-16-6-3-7-20-19(16)21-17(18)13-22-8-10-23-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,20,21)
InChIKeyWWWNDRIMRXFDMN-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.37
Rot. Bonds3

About 4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine

4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine (PubChem CID 58087682) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine
PubChem CID58087682
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine
SMILESCc1cccc(-c2c(CN3CCOCC3)[nH]c3ncccc23)c1
InChIInChI=1S/C19H21N3O/c1-14-4-2-5-15(12-14)18-16-6-3-7-20-19(16)21-17(18)13-22-8-10-23-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,20,21)
InChIKeyWWWNDRIMRXFDMN-UHFFFAOYSA-N
XLogP3.37
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 30851824
2-[1-[[3-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-2-yl]ethanol
CID 58086559
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine
CID 46974222
4-[(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]morpholine
CID 138491339
2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84699413
4-[(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,4-oxazepane;hydrochloride
CID 118741935
4-(3-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 24549518
4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 59506892
4-(quinolin-5-ylmethyl)-1,4-oxazepane
CID 29183639
6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 117080618
4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 91484041

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine (CID 58087682) is 4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine is Cc1cccc(-c2c(CN3CCOCC3)[nH]c3ncccc23)c1.
What is the InChIKey of 4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine?
The InChIKey is WWWNDRIMRXFDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-4-2-5-15(12-14)18-16-6-3-7-20-19(16)21-17(18)13-22-8-10-23-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,20,21).
What are the key properties of 4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine?
4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine has a molecular weight of 307.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]morpholine is sourced from PubChem (CID 58087682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).