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

C16H18N2O — CID 112535728

IUPAC(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3c(ccn3C)C2)cc1
InChIInChI=1S/C16H18N2O/c1-12-3-5-13(6-4-12)16(19)18-10-8-15-14(11-18)7-9-17(15)2/h3-7,9H,8,10-11H2,1-2H3
InChIKeyKUNIJIHGHXDYLA-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.53
Rot. Bonds1

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

(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone (PubChem CID 112535728) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone
PubChem CID112535728
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3c(ccn3C)C2)cc1
InChIInChI=1S/C16H18N2O/c1-12-3-5-13(6-4-12)16(19)18-10-8-15-14(11-18)7-9-17(15)2/h3-7,9H,8,10-11H2,1-2H3
InChIKeyKUNIJIHGHXDYLA-UHFFFAOYSA-N
XLogP2.53
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)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-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone
CID 112535736
(4-methylphenyl)-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)methanone
CID 95857705
1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone
CID 112535743
5-(4-methylbenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369272
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 110726069
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 114523312
2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294064
[1-methyl-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 53019518
2-[5,7-dimethyl-2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-6-yl]acetic acid
CID 139398489
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one
CID 112535781
1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone
CID 112535716

Frequently Asked Questions

What is the IUPAC name of (1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone?
The IUPAC name of (1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone (CID 112535728) is (1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCc3c(ccn3C)C2)cc1.
What is the InChIKey of (1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone?
The InChIKey is KUNIJIHGHXDYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-3-5-13(6-4-12)16(19)18-10-8-15-14(11-18)7-9-17(15)2/h3-7,9H,8,10-11H2,1-2H3.
What are the key properties of (1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone?
(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone has a molecular weight of 254.33 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 112535728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).