2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid

C19H23F3N6O4 — CID 155860066

IUPAC2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(N2Cc3cncn3C(CNC(=O)CC3CC3)C2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N6O2.C2HF3O2/c1-25-17-5-15(20-10-21-17)22-8-13-6-18-11-23(13)14(9-22)7-19-16(24)4-12-2-3-12;3-2(4,5)1(6)7/h5-6,10-12,14H,2-4,7-9H2,1H3,(H,19,24);(H,6,7)
InChIKeyPOWIVUGDIURJGX-UHFFFAOYSA-N
MW456.43 g/mol
LogP1.79
Rot. Bonds6

About 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid

2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155860066) has the molecular formula C19H23F3N6O4 and a molecular weight of 456.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID155860066
Molecular FormulaC19H23F3N6O4
Molecular Weight456.43 g/mol
Exact Mass456.17
IUPAC Name2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(N2Cc3cncn3C(CNC(=O)CC3CC3)C2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N6O2.C2HF3O2/c1-25-17-5-15(20-10-21-17)22-8-13-6-18-11-23(13)14(9-22)7-19-16(24)4-12-2-3-12;3-2(4,5)1(6)7/h5-6,10-12,14H,2-4,7-9H2,1H3,(H,19,24);(H,6,7)
InChIKeyPOWIVUGDIURJGX-UHFFFAOYSA-N
XLogP1.79
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 154885785
1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155828613
N-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155830728
cyclopropyl-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155842309
N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-6-methoxypyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155860036
cyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97467636
2-cyclopropyl-N-[[(5S)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
CID 124794924
2-cyclopropyl-N-[[(5R)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide
CID 124794925
(5R)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124794938
(5S)-N-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124794939
(5S)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124797681
(5R)-7-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124797682

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (CID 155860066) is 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is COc1cc(N2Cc3cncn3C(CNC(=O)CC3CC3)C2)ncn1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is POWIVUGDIURJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2.C2HF3O2/c1-25-17-5-15(20-10-21-17)22-8-13-6-18-11-23(13)14(9-22)7-19-16(24)4-12-2-3-12;3-2(4,5)1(6)7/h5-6,10-12,14H,2-4,7-9H2,1H3,(H,19,24);(H,6,7).
What are the key properties of 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 456.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155860066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).