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

C19H19N3O — CID 175652273

IUPAC[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-phenylmethanone
SMILESCn1ccc2ccnc(CC3CN(C(=O)c4ccccc4)C3)c21
InChIInChI=1S/C19H19N3O/c1-21-10-8-15-7-9-20-17(18(15)21)11-14-12-22(13-14)19(23)16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3
InChIKeyGWWHSDNUGVIVPQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.89
Rot. Bonds3

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

[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-phenylmethanone (PubChem CID 175652273) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-phenylmethanone
PubChem CID175652273
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-phenylmethanone
SMILESCn1ccc2ccnc(CC3CN(C(=O)c4ccccc4)C3)c21
InChIInChI=1S/C19H19N3O/c1-21-10-8-15-7-9-20-17(18(15)21)11-14-12-22(13-14)19(23)16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3
InChIKeyGWWHSDNUGVIVPQ-UHFFFAOYSA-N
XLogP2.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-pyridin-3-ylmethanone
CID 124987529
(4-methoxyphenyl)-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
CID 124944643
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
(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
(1-benzoylazetidin-3-yl)methanesulfonic acid
CID 150251295
(1-methylpyrrolo[2,3-c]pyridin-7-yl)-(2-methylthiomorpholin-4-yl)methanone
CID 166259518
(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
CID 22336071
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64605969

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-phenylmethanone (CID 175652273) is [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-phenylmethanone is Cn1ccc2ccnc(CC3CN(C(=O)c4ccccc4)C3)c21.
What is the InChIKey of [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-phenylmethanone?
The InChIKey is GWWHSDNUGVIVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-21-10-8-15-7-9-20-17(18(15)21)11-14-12-22(13-14)19(23)16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3.
What are the key properties of [3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-phenylmethanone?
[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]-phenylmethanone has a molecular weight of 305.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 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]-phenylmethanone is sourced from PubChem (CID 175652273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).