[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid

C21H25F3N4O4 — CID 118745196

IUPAC[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(=O)N2CCn3c(COCC4CC4)cnc3C2C)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N4O2.C2HF3O2/c1-13-3-6-17(20-9-13)19(24)22-7-8-23-16(10-21-18(23)14(22)2)12-25-11-15-4-5-15;3-2(4,5)1(6)7/h3,6,9-10,14-15H,4-5,7-8,11-12H2,1-2H3;(H,6,7)
InChIKeyWXGHLNSJZGZORB-UHFFFAOYSA-N
MW454.45 g/mol
LogP3.36
Rot. Bonds5

About [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid

[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 118745196) has the molecular formula C21H25F3N4O4 and a molecular weight of 454.45 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
PubChem CID118745196
Molecular FormulaC21H25F3N4O4
Molecular Weight454.45 g/mol
Exact Mass454.18
IUPAC Name[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(=O)N2CCn3c(COCC4CC4)cnc3C2C)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N4O2.C2HF3O2/c1-13-3-6-17(20-9-13)19(24)22-7-8-23-16(10-21-18(23)14(22)2)12-25-11-15-4-5-15;3-2(4,5)1(6)7/h3,6,9-10,14-15H,4-5,7-8,11-12H2,1-2H3;(H,6,7)
InChIKeyWXGHLNSJZGZORB-UHFFFAOYSA-N
XLogP3.36
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid (CID 118745196) is [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid is Cc1ccc(C(=O)N2CCn3c(COCC4CC4)cnc3C2C)nc1.O=C(O)C(F)(F)F.
What is the InChIKey of [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is WXGHLNSJZGZORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.C2HF3O2/c1-13-3-6-17(20-9-13)19(24)22-7-8-23-16(10-21-18(23)14(22)2)12-25-11-15-4-5-15;3-2(4,5)1(6)7/h3,6,9-10,14-15H,4-5,7-8,11-12H2,1-2H3;(H,6,7).
What are the key properties of [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid?
[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 454.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118745196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).