[1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid

C20H24F3N3O4S — CID 155861345

IUPAC[1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCOCC1CN(C(=O)c2ccc(C)s2)Cc2ncn(CC3CC3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N3O2S.C2HF3O2/c1-12-3-6-16(24-12)18(22)20-8-14(10-23-2)17-15(9-20)19-11-21(17)7-13-4-5-13;3-2(4,5)1(6)7/h3,6,11,13-14H,4-5,7-10H2,1-2H3;(H,6,7)
InChIKeyRTWGBQOINFFFCX-UHFFFAOYSA-N
MW459.49 g/mol
LogP3.68
Rot. Bonds5

About [1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid

[1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155861345) has the molecular formula C20H24F3N3O4S and a molecular weight of 459.49 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155861345
Molecular FormulaC20H24F3N3O4S
Molecular Weight459.49 g/mol
Exact Mass459.14
IUPAC Name[1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCOCC1CN(C(=O)c2ccc(C)s2)Cc2ncn(CC3CC3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N3O2S.C2HF3O2/c1-12-3-6-16(24-12)18(22)20-8-14(10-23-2)17-15(9-20)19-11-21(17)7-13-4-5-13;3-2(4,5)1(6)7/h3,6,11,13-14H,4-5,7-10H2,1-2H3;(H,6,7)
InChIKeyRTWGBQOINFFFCX-UHFFFAOYSA-N
XLogP3.68
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 155861345) is [1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid is COCC1CN(C(=O)c2ccc(C)s2)Cc2ncn(CC3CC3)c21.O=C(O)C(F)(F)F.
What is the InChIKey of [1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is RTWGBQOINFFFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.C2HF3O2/c1-12-3-6-16(24-12)18(22)20-8-14(10-23-2)17-15(9-20)19-11-21(17)7-13-4-5-13;3-2(4,5)1(6)7/h3,6,11,13-14H,4-5,7-10H2,1-2H3;(H,6,7).
What are the key properties of [1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid?
[1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 459.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(5-methylthiophen-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155861345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).