1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone

C16H18N2O — CID 112535743

IUPAC1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone
SMILESCn1ccc2c1CCN(C(=O)Cc1ccccc1)C2
InChIInChI=1S/C16H18N2O/c1-17-9-7-14-12-18(10-8-15(14)17)16(19)11-13-5-3-2-4-6-13/h2-7,9H,8,10-12H2,1H3
InChIKeyBNRQCQRQHIDMNN-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.15
Rot. Bonds2

About 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone

1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone (PubChem CID 112535743) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone
PubChem CID112535743
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone
SMILESCn1ccc2c1CCN(C(=O)Cc1ccccc1)C2
InChIInChI=1S/C16H18N2O/c1-17-9-7-14-12-18(10-8-15(14)17)16(19)11-13-5-3-2-4-6-13/h2-7,9H,8,10-12H2,1H3
InChIKeyBNRQCQRQHIDMNN-UHFFFAOYSA-N
XLogP2.15
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone 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

1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone
CID 112535716
3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one
CID 112535720
3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one
CID 112535781
1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone
CID 110472108
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768939
(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone
CID 112535728
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenylethanone
CID 112536189
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-phenylacetamide
CID 2567857
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-sulfanylphenyl)ethanone
CID 107020839
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethanone
CID 90895697
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-[3-(hydroxymethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylethanone
CID 86771529

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone?
The IUPAC name of 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone (CID 112535743) is 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone.
What is the SMILES notation for 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone?
The canonical SMILES for 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone is Cn1ccc2c1CCN(C(=O)Cc1ccccc1)C2.
What is the InChIKey of 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone?
The InChIKey is BNRQCQRQHIDMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-17-9-7-14-12-18(10-8-15(14)17)16(19)11-13-5-3-2-4-6-13/h2-7,9H,8,10-12H2,1H3.
What are the key properties of 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone?
1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone has a molecular weight of 254.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone is sourced from PubChem (CID 112535743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).