2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one

C17H22N4O — CID 134689351

IUPAC2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one
SMILESCC(C)C(=O)C1c2c(ncn2C)CCN1Cc1cccnc1
InChIInChI=1S/C17H22N4O/c1-12(2)17(22)16-15-14(19-11-20(15)3)6-8-21(16)10-13-5-4-7-18-9-13/h4-5,7,9,11-12,16H,6,8,10H2,1-3H3
InChIKeyRLDCMUCDHQOWNJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.14
Rot. Bonds4

About 2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one

2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one (PubChem CID 134689351) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one
PubChem CID134689351
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one
SMILESCC(C)C(=O)C1c2c(ncn2C)CCN1Cc1cccnc1
InChIInChI=1S/C17H22N4O/c1-12(2)17(22)16-15-14(19-11-20(15)3)6-8-21(16)10-13-5-4-7-18-9-13/h4-5,7,9,11-12,16H,6,8,10H2,1-3H3
InChIKeyRLDCMUCDHQOWNJ-UHFFFAOYSA-N
XLogP2.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one with MolForge

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Related Compounds

[(3S)-3-hydroxypiperidin-1-yl]-[(4S)-3-propan-2-yl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 97442781
(4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 97442688
3-methyl-5-(pyridine-3-carbonyl)-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 134075325
[(4S)-5-benzyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 97361571
(4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 97442800
(7R)-7-(methoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382834
N,N-dimethyl-2-[[1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]acetamide
CID 134070194
3-methyl-5-(pyridine-3-carbonyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 134078505
3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid
CID 172854728
7-(ethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131660540
oxalic acid;1-propan-2-yl-4-(pyridin-3-ylmethyl)piperazine
CID 2879902
1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-one
CID 104735960

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one (CID 134689351) is 2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one is CC(C)C(=O)C1c2c(ncn2C)CCN1Cc1cccnc1.
What is the InChIKey of 2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one?
The InChIKey is RLDCMUCDHQOWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(2)17(22)16-15-14(19-11-20(15)3)6-8-21(16)10-13-5-4-7-18-9-13/h4-5,7,9,11-12,16H,6,8,10H2,1-3H3.
What are the key properties of 2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one?
2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]propan-1-one is sourced from PubChem (CID 134689351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).