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

C17H21N3O2S — CID 118739637

IUPAC[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
SMILESCn1cnc2c1C(COCC1CC1)CN(C(=O)c1ccsc1)C2
InChIInChI=1S/C17H21N3O2S/c1-19-11-18-15-7-20(17(21)13-4-5-23-10-13)6-14(16(15)19)9-22-8-12-2-3-12/h4-5,10-12,14H,2-3,6-9H2,1H3
InChIKeyAQQQJLUHYGUKMW-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.65
Rot. Bonds5

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

[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone (PubChem CID 118739637) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
PubChem CID118739637
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
SMILESCn1cnc2c1C(COCC1CC1)CN(C(=O)c1ccsc1)C2
InChIInChI=1S/C17H21N3O2S/c1-19-11-18-15-7-20(17(21)13-4-5-23-10-13)6-14(16(15)19)9-22-8-12-2-3-12/h4-5,10-12,14H,2-3,6-9H2,1H3
InChIKeyAQQQJLUHYGUKMW-UHFFFAOYSA-N
XLogP2.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.65
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]-thiophen-3-ylmethanone?
The IUPAC name of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone (CID 118739637) is [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone is Cn1cnc2c1C(COCC1CC1)CN(C(=O)c1ccsc1)C2.
What is the InChIKey of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone?
The InChIKey is AQQQJLUHYGUKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-19-11-18-15-7-20(17(21)13-4-5-23-10-13)6-14(16(15)19)9-22-8-12-2-3-12/h4-5,10-12,14H,2-3,6-9H2,1H3.
What are the key properties of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone?
[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone has a molecular weight of 331.44 g/mol, XLogP of 2.65, 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]-thiophen-3-ylmethanone is sourced from PubChem (CID 118739637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).