(4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone

C20H21N3O2 — CID 124944643

IUPAC(4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC(Cc3nccc4ccn(C)c34)C2)cc1
InChIInChI=1S/C20H21N3O2/c1-22-10-8-15-7-9-21-18(19(15)22)11-14-12-23(13-14)20(24)16-3-5-17(25-2)6-4-16/h3-10,14H,11-13H2,1-2H3
InChIKeyBLFACLHDSLCMFL-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.90
Rot. Bonds4

About (4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone

(4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone (PubChem CID 124944643) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
PubChem CID124944643
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC(Cc3nccc4ccn(C)c34)C2)cc1
InChIInChI=1S/C20H21N3O2/c1-22-10-8-15-7-9-21-18(19(15)22)11-14-12-23(13-14)20(24)16-3-5-17(25-2)6-4-16/h3-10,14H,11-13H2,1-2H3
InChIKeyBLFACLHDSLCMFL-UHFFFAOYSA-N
XLogP2.90
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-phenylmethanone
CID 175652273
[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone
CID 124987529
2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
CID 175652282
(4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
CID 124995909
1-methyl-7-[(1-methylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine
CID 127245813
1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine
CID 124978555
(4-methoxyphenyl)-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95844873
[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 143566015
[4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 166623335
[3-(4-methoxyphenoxy)azetidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134791197
2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid
CID 116680825
[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 72915886

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone (CID 124944643) is (4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone is COc1ccc(C(=O)N2CC(Cc3nccc4ccn(C)c34)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone?
The InChIKey is BLFACLHDSLCMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-22-10-8-15-7-9-21-18(19(15)22)11-14-12-23(13-14)20(24)16-3-5-17(25-2)6-4-16/h3-10,14H,11-13H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone?
(4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone is sourced from PubChem (CID 124944643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).