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

C18H25F3N4O3 — CID 118745404

IUPAC2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC1)NCc1cn2c(n1)CN(CC1CC1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N4O.C2HF3O2/c21-16(7-12-1-2-12)17-8-14-10-20-6-5-19(9-13-3-4-13)11-15(20)18-14;3-2(4,5)1(6)7/h10,12-13H,1-9,11H2,(H,17,21);(H,6,7)
InChIKeyAWSKYJGNPYTQTG-UHFFFAOYSA-N
MW402.42 g/mol
LogP2.16
Rot. Bonds6

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

2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118745404) has the molecular formula C18H25F3N4O3 and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID118745404
Molecular FormulaC18H25F3N4O3
Molecular Weight402.42 g/mol
Exact Mass402.19
IUPAC Name2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC1)NCc1cn2c(n1)CN(CC1CC1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N4O.C2HF3O2/c21-16(7-12-1-2-12)17-8-14-10-20-6-5-19(9-13-3-4-13)11-15(20)18-14;3-2(4,5)1(6)7/h10,12-13H,1-9,11H2,(H,17,21);(H,6,7)
InChIKeyAWSKYJGNPYTQTG-UHFFFAOYSA-N
XLogP2.16
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (CID 118745404) is 2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is O=C(CC1CC1)NCc1cn2c(n1)CN(CC1CC1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is AWSKYJGNPYTQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.C2HF3O2/c21-16(7-12-1-2-12)17-8-14-10-20-6-5-19(9-13-3-4-13)11-15(20)18-14;3-2(4,5)1(6)7/h10,12-13H,1-9,11H2,(H,17,21);(H,6,7).
What are the key properties of 2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 402.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118745404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).