N-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

C21H18FN7O2 — CID 86291837

IUPACN-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESCn1cc2n(c1=O)C[C@@](C)(c1cc(NC(=O)c3ccc(C#N)cn3)ccc1F)N=C2N
InChIInChI=1S/C21H18FN7O2/c1-21(11-29-17(18(24)27-21)10-28(2)20(29)31)14-7-13(4-5-15(14)22)26-19(30)16-6-3-12(8-23)9-25-16/h3-7,9-10H,11H2,1-2H3,(H2,24,27)(H,26,30)/t21-/m0/s1
InChIKeyBUDULEITQIRFAU-NRFANRHFSA-N
MW419.42 g/mol
LogP1.48
Rot. Bonds3

About N-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

N-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide (PubChem CID 86291837) has the molecular formula C21H18FN7O2 and a molecular weight of 419.42 g/mol. Its IUPAC name is N-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
PubChem CID86291837
Molecular FormulaC21H18FN7O2
Molecular Weight419.42 g/mol
Exact Mass419.15
IUPAC NameN-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESCn1cc2n(c1=O)C[C@@](C)(c1cc(NC(=O)c3ccc(C#N)cn3)ccc1F)N=C2N
InChIInChI=1S/C21H18FN7O2/c1-21(11-29-17(18(24)27-21)10-28(2)20(29)31)14-7-13(4-5-15(14)22)26-19(30)16-6-3-12(8-23)9-25-16/h3-7,9-10H,11H2,1-2H3,(H2,24,27)(H,26,30)/t21-/m0/s1
InChIKeyBUDULEITQIRFAU-NRFANRHFSA-N
XLogP1.48
TPSA131.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide (CID 86291837) is N-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide is Cn1cc2n(c1=O)C[C@@](C)(c1cc(NC(=O)c3ccc(C#N)cn3)ccc1F)N=C2N.
What is the InChIKey of N-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is BUDULEITQIRFAU-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18FN7O2/c1-21(11-29-17(18(24)27-21)10-28(2)20(29)31)14-7-13(4-5-15(14)22)26-19(30)16-6-3-12(8-23)9-25-16/h3-7,9-10H,11H2,1-2H3,(H2,24,27)(H,26,30)/t21-/m0/s1.
What are the key properties of N-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
N-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 419.42 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 86291837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).