cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid

C22H30F3N3O5 — CID 155862257

IUPACcyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c1C(COCC1CCOCC1)CN(C(=O)C1=CCCC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H29N3O3.C2HF3O2/c1-22-14-21-18-11-23(20(24)16-4-2-3-5-16)10-17(19(18)22)13-26-12-15-6-8-25-9-7-15;3-2(4,5)1(6)7/h4,14-15,17H,2-3,5-13H2,1H3;(H,6,7)
InChIKeyINOBYKXTGCRVEU-UHFFFAOYSA-N
MW473.49 g/mol
LogP3.03
Rot. Bonds5

About cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid

cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155862257) has the molecular formula C22H30F3N3O5 and a molecular weight of 473.49 g/mol. Its IUPAC name is cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155862257
Molecular FormulaC22H30F3N3O5
Molecular Weight473.49 g/mol
Exact Mass473.21
IUPAC Namecyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c1C(COCC1CCOCC1)CN(C(=O)C1=CCCC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H29N3O3.C2HF3O2/c1-22-14-21-18-11-23(20(24)16-4-2-3-5-16)10-17(19(18)22)13-26-12-15-6-8-25-9-7-15;3-2(4,5)1(6)7/h4,14-15,17H,2-3,5-13H2,1H3;(H,6,7)
InChIKeyINOBYKXTGCRVEU-UHFFFAOYSA-N
XLogP3.03
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid (CID 155862257) is cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid is Cn1cnc2c1C(COCC1CCOCC1)CN(C(=O)C1=CCCC1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is INOBYKXTGCRVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.C2HF3O2/c1-22-14-21-18-11-23(20(24)16-4-2-3-5-16)10-17(19(18)22)13-26-12-15-6-8-25-9-7-15;3-2(4,5)1(6)7/h4,14-15,17H,2-3,5-13H2,1H3;(H,6,7).
What are the key properties of cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid?
cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 473.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155862257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).