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

C18H23N3O2S — CID 118743933

IUPAC[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1Cc2ncn(C)c2C(COCC2CC2)C1
InChIInChI=1S/C18H23N3O2S/c1-12-5-6-24-17(12)18(22)21-7-14(10-23-9-13-3-4-13)16-15(8-21)19-11-20(16)2/h5-6,11,13-14H,3-4,7-10H2,1-2H3
InChIKeyINELRVLCFVURON-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.96
Rot. Bonds5

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

[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 118743933) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID118743933
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1Cc2ncn(C)c2C(COCC2CC2)C1
InChIInChI=1S/C18H23N3O2S/c1-12-5-6-24-17(12)18(22)21-7-14(10-23-9-13-3-4-13)16-15(8-21)19-11-20(16)2/h5-6,11,13-14H,3-4,7-10H2,1-2H3
InChIKeyINELRVLCFVURON-UHFFFAOYSA-N
XLogP2.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone (CID 118743933) is [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1Cc2ncn(C)c2C(COCC2CC2)C1.
What is the InChIKey of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is INELRVLCFVURON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-5-6-24-17(12)18(22)21-7-14(10-23-9-13-3-4-13)16-15(8-21)19-11-20(16)2/h5-6,11,13-14H,3-4,7-10H2,1-2H3.
What are the key properties of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone?
[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 345.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 118743933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).