methyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate

C22H19FN6O3 — CID 71235513

IUPACmethyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate
SMILESCOC(=O)c1cnc(N)c2c(-c3ccc(C(=O)Nc4cc(CF)ccn4)cc3)nc(C)n12
InChIInChI=1S/C22H19FN6O3/c1-12-27-18(19-20(24)26-11-16(29(12)19)22(31)32-2)14-3-5-15(6-4-14)21(30)28-17-9-13(10-23)7-8-25-17/h3-9,11H,10H2,1-2H3,(H2,24,26)(H,25,28,30)
InChIKeyYGMVROYRXYMGCZ-UHFFFAOYSA-N
MW434.43 g/mol
LogP3.19
Rot. Bonds5

About methyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate

methyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate (PubChem CID 71235513) has the molecular formula C22H19FN6O3 and a molecular weight of 434.43 g/mol. Its IUPAC name is methyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Namemethyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate
PubChem CID71235513
Molecular FormulaC22H19FN6O3
Molecular Weight434.43 g/mol
Exact Mass434.15
IUPAC Namemethyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate
SMILESCOC(=O)c1cnc(N)c2c(-c3ccc(C(=O)Nc4cc(CF)ccn4)cc3)nc(C)n12
InChIInChI=1S/C22H19FN6O3/c1-12-27-18(19-20(24)26-11-16(29(12)19)22(31)32-2)14-3-5-15(6-4-14)21(30)28-17-9-13(10-23)7-8-25-17/h3-9,11H,10H2,1-2H3,(H2,24,26)(H,25,28,30)
InChIKeyYGMVROYRXYMGCZ-UHFFFAOYSA-N
XLogP3.19
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of methyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate (CID 71235513) is methyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for methyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for methyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate is COC(=O)c1cnc(N)c2c(-c3ccc(C(=O)Nc4cc(CF)ccn4)cc3)nc(C)n12.
What is the InChIKey of methyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is YGMVROYRXYMGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O3/c1-12-27-18(19-20(24)26-11-16(29(12)19)22(31)32-2)14-3-5-15(6-4-14)21(30)28-17-9-13(10-23)7-8-25-17/h3-9,11H,10H2,1-2H3,(H2,24,26)(H,25,28,30).
What are the key properties of methyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate?
methyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 434.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-amino-1-[4-[[4-(fluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-3-methylimidazo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 71235513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).