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

C18H18N4O — CID 124987529

IUPAC[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone
SMILESCn1ccc2ccnc(CC3CN(C(=O)c4cccnc4)C3)c21
InChIInChI=1S/C18H18N4O/c1-21-8-5-14-4-7-20-16(17(14)21)9-13-11-22(12-13)18(23)15-3-2-6-19-10-15/h2-8,10,13H,9,11-12H2,1H3
InChIKeyOGJNDBHRAPVWIB-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.28
Rot. Bonds3

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

[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 124987529) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone
PubChem CID124987529
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone
SMILESCn1ccc2ccnc(CC3CN(C(=O)c4cccnc4)C3)c21
InChIInChI=1S/C18H18N4O/c1-21-8-5-14-4-7-20-16(17(14)21)9-13-11-22(12-13)18(23)15-3-2-6-19-10-15/h2-8,10,13H,9,11-12H2,1H3
InChIKeyOGJNDBHRAPVWIB-UHFFFAOYSA-N
XLogP2.28
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(4-methylpyrimidin-5-yl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
CID 124995909
2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
CID 175652282
2-ethyl-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]butan-1-one
CID 124946692
1-methyl-7-[(1-propan-2-ylsulfonylazetidin-3-yl)methyl]pyrrolo[2,3-c]pyridine
CID 124978555
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
S-[1-(pyridine-3-carbonyl)azetidin-3-yl] ethanethioate
CID 86242952
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 110290369
pyridin-3-yl-[(3R)-3-(quinolin-8-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828404
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone (CID 124987529) is [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone is Cn1ccc2ccnc(CC3CN(C(=O)c4cccnc4)C3)c21.
What is the InChIKey of [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is OGJNDBHRAPVWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-21-8-5-14-4-7-20-16(17(14)21)9-13-11-22(12-13)18(23)15-3-2-6-19-10-15/h2-8,10,13H,9,11-12H2,1H3.
What are the key properties of [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone?
[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 306.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 124987529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).