N,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)

C21H26F6N4O6S — CID 155836388

IUPACN,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C(=O)COCC1c2c(ncn2C)CCN1Cc1cccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4O2S.2C2HF3O2/c1-19(2)16(22)11-23-10-15-17-14(18-12-20(17)3)6-7-21(15)9-13-5-4-8-24-13;2*3-2(4,5)1(6)7/h4-5,8,12,15H,6-7,9-11H2,1-3H3;2*(H,6,7)
InChIKeyXPHAYXKKBSTJAQ-UHFFFAOYSA-N
MW576.52 g/mol
LogP2.95
Rot. Bonds6

About N,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)

N,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155836388) has the molecular formula C21H26F6N4O6S and a molecular weight of 576.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID155836388
Molecular FormulaC21H26F6N4O6S
Molecular Weight576.52 g/mol
Exact Mass576.15
IUPAC NameN,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C(=O)COCC1c2c(ncn2C)CCN1Cc1cccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4O2S.2C2HF3O2/c1-19(2)16(22)11-23-10-15-17-14(18-12-20(17)3)6-7-21(15)9-13-5-4-8-24-13;2*3-2(4,5)1(6)7/h4-5,8,12,15H,6-7,9-11H2,1-3H3;2*(H,6,7)
InChIKeyXPHAYXKKBSTJAQ-UHFFFAOYSA-N
XLogP2.95
TPSA125.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.52
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) (CID 155836388) is N,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) is CN(C)C(=O)COCC1c2c(ncn2C)CCN1Cc1cccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is XPHAYXKKBSTJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S.2C2HF3O2/c1-19(2)16(22)11-23-10-15-17-14(18-12-20(17)3)6-7-21(15)9-13-5-4-8-24-13;2*3-2(4,5)1(6)7/h4-5,8,12,15H,6-7,9-11H2,1-3H3;2*(H,6,7).
What are the key properties of N,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)?
N,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 576.52 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[3-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155836388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).