2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide

C26H24FN5O4 — CID 135338118

IUPAC2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide
SMILESCOc1cccc(Oc2ccc(-c3nc([C@@H]4CCCCN4C(=O)C(N)=O)n4ccncc34)cc2)c1F
InChIInChI=1S/C26H24FN5O4/c1-35-20-6-4-7-21(22(20)27)36-17-10-8-16(9-11-17)23-19-15-29-12-14-31(19)25(30-23)18-5-2-3-13-32(18)26(34)24(28)33/h4,6-12,14-15,18H,2-3,5,13H2,1H3,(H2,28,33)/t18-/m0/s1
InChIKeyNIYKBFWBCZMCQH-SFHVURJKSA-N
MW489.51 g/mol
LogP3.88
Rot. Bonds5

About 2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide

2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide (PubChem CID 135338118) has the molecular formula C26H24FN5O4 and a molecular weight of 489.51 g/mol. Its IUPAC name is 2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide
PubChem CID135338118
Molecular FormulaC26H24FN5O4
Molecular Weight489.51 g/mol
Exact Mass489.18
IUPAC Name2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide
SMILESCOc1cccc(Oc2ccc(-c3nc([C@@H]4CCCCN4C(=O)C(N)=O)n4ccncc34)cc2)c1F
InChIInChI=1S/C26H24FN5O4/c1-35-20-6-4-7-21(22(20)27)36-17-10-8-16(9-11-17)23-19-15-29-12-14-31(19)25(30-23)18-5-2-3-13-32(18)26(34)24(28)33/h4,6-12,14-15,18H,2-3,5,13H2,1H3,(H2,28,33)/t18-/m0/s1
InChIKeyNIYKBFWBCZMCQH-SFHVURJKSA-N
XLogP3.88
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile
CID 135337720
1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-2-ylimidazo[1,5-a]pyrazine
CID 139465912
1-[2-[1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 135337421
1-[2-[1-[4-(3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one
CID 135337772
1-[2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one
CID 139465849
1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine
CID 135338043
1-[(2S)-2-[1-[4-(3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 135337537
1-[2-[1-[4-(3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 135337686
4-[3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(2-fluoro-3-methoxyphenyl)benzamide
CID 135337436
1-[2-[8-cyclopropyl-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one
CID 139465846
1-[(2S)-2-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 130409222
1-[2-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 130409223

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide (CID 135338118) is 2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide is COc1cccc(Oc2ccc(-c3nc([C@@H]4CCCCN4C(=O)C(N)=O)n4ccncc34)cc2)c1F.
What is the InChIKey of 2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide?
The InChIKey is NIYKBFWBCZMCQH-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24FN5O4/c1-35-20-6-4-7-21(22(20)27)36-17-10-8-16(9-11-17)23-19-15-29-12-14-31(19)25(30-23)18-5-2-3-13-32(18)26(34)24(28)33/h4,6-12,14-15,18H,2-3,5,13H2,1H3,(H2,28,33)/t18-/m0/s1.
What are the key properties of 2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide?
2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 489.51 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 135338118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).