1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide

C18H18F3N5O3 — CID 137452692

IUPAC1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESCC1(NC(=O)c2ncn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)CC3)COC1
InChIInChI=1S/C18H18F3N5O3/c1-18(7-29-8-18)24-16(27)15-13-6-25(2-3-26(13)9-22-15)17(28)23-10-4-11(19)14(21)12(20)5-10/h4-5,9H,2-3,6-8H2,1H3,(H,23,28)(H,24,27)
InChIKeySZDDYSUULLKXDH-UHFFFAOYSA-N
MW409.37 g/mol
LogP1.87
Rot. Bonds3

About 1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide

1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (PubChem CID 137452692) has the molecular formula C18H18F3N5O3 and a molecular weight of 409.37 g/mol. Its IUPAC name is 1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
PubChem CID137452692
Molecular FormulaC18H18F3N5O3
Molecular Weight409.37 g/mol
Exact Mass409.14
IUPAC Name1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESCC1(NC(=O)c2ncn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)CC3)COC1
InChIInChI=1S/C18H18F3N5O3/c1-18(7-29-8-18)24-16(27)15-13-6-25(2-3-26(13)9-22-15)17(28)23-10-4-11(19)14(21)12(20)5-10/h4-5,9H,2-3,6-8H2,1H3,(H,23,28)(H,24,27)
InChIKeySZDDYSUULLKXDH-UHFFFAOYSA-N
XLogP1.87
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The IUPAC name of 1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide (CID 137452692) is 1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide.
What is the SMILES notation for 1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The canonical SMILES for 1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide is CC1(NC(=O)c2ncn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)CC3)COC1.
What is the InChIKey of 1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The InChIKey is SZDDYSUULLKXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O3/c1-18(7-29-8-18)24-16(27)15-13-6-25(2-3-26(13)9-22-15)17(28)23-10-4-11(19)14(21)12(20)5-10/h4-5,9H,2-3,6-8H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide?
1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide has a molecular weight of 409.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methyloxetan-3-yl)-7-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide is sourced from PubChem (CID 137452692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).