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

C15H17N3O — CID 112535716

IUPAC1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone
SMILESCn1ccc2c1CCN(C(=O)Cc1cccnc1)C2
InChIInChI=1S/C15H17N3O/c1-17-7-4-13-11-18(8-5-14(13)17)15(19)9-12-3-2-6-16-10-12/h2-4,6-7,10H,5,8-9,11H2,1H3
InChIKeyDPXPCUIEGVZYLC-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.55
Rot. Bonds2

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

1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone (PubChem CID 112535716) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone
PubChem CID112535716
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone
SMILESCn1ccc2c1CCN(C(=O)Cc1cccnc1)C2
InChIInChI=1S/C15H17N3O/c1-17-7-4-13-11-18(8-5-14(13)17)15(19)9-12-3-2-6-16-10-12/h2-4,6-7,10H,5,8-9,11H2,1H3
InChIKeyDPXPCUIEGVZYLC-UHFFFAOYSA-N
XLogP1.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone
CID 112535743
3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one
CID 112535720
1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one
CID 126851696
3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one
CID 112535781
1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
CID 53018782
2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 176506501
2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid
CID 62691390
1-[1-ethyl-3-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
CID 26145865
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113163589
1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 110468074
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone (CID 112535716) is 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone is Cn1ccc2c1CCN(C(=O)Cc1cccnc1)C2.
What is the InChIKey of 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone?
The InChIKey is DPXPCUIEGVZYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-17-7-4-13-11-18(8-5-14(13)17)15(19)9-12-3-2-6-16-10-12/h2-4,6-7,10H,5,8-9,11H2,1H3.
What are the key properties of 1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone?
1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone has a molecular weight of 255.32 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 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-pyridin-3-ylethanone is sourced from PubChem (CID 112535716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).