2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide

C22H20F4N6O3 — CID 171628031

IUPAC2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)C(F)(F)F)NC1CN(C(=O)c2cncc3cncn23)CCC1c1cccc(F)c1
InChIInChI=1S/C22H20F4N6O3/c23-14-3-1-2-13(6-14)16-4-5-31(20(34)18-9-27-7-15-8-28-12-32(15)18)11-17(16)30-19(33)10-29-21(35)22(24,25)26/h1-3,6-9,12,16-17H,4-5,10-11H2,(H,29,35)(H,30,33)
InChIKeyBBOROROBJHJEIM-UHFFFAOYSA-N
MW492.43 g/mol
LogP1.66
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide

2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide (PubChem CID 171628031) has the molecular formula C22H20F4N6O3 and a molecular weight of 492.43 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide
PubChem CID171628031
Molecular FormulaC22H20F4N6O3
Molecular Weight492.43 g/mol
Exact Mass492.15
IUPAC Name2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)C(F)(F)F)NC1CN(C(=O)c2cncc3cncn23)CCC1c1cccc(F)c1
InChIInChI=1S/C22H20F4N6O3/c23-14-3-1-2-13(6-14)16-4-5-31(20(34)18-9-27-7-15-8-28-12-32(15)18)11-17(16)30-19(33)10-29-21(35)22(24,25)26/h1-3,6-9,12,16-17H,4-5,10-11H2,(H,29,35)(H,30,33)
InChIKeyBBOROROBJHJEIM-UHFFFAOYSA-N
XLogP1.66
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.43
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-5-carbonyl)piperidin-3-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 171628206
N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide
CID 171628096
[(3R)-3-(3-chloro-5-fluorophenyl)pyrrolidin-1-yl]-imidazo[1,5-a]pyrazin-5-ylmethanone;N-propan-2-ylsulfanylmethanamine
CID 171628281
N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(pyridine-3-carbonyl)piperidin-3-yl]-3-methylbutanamide
CID 171628182
tert-butyl (2R)-4,4-difluoro-2-[[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 171628219
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide
CID 84597675
N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide
CID 171628250
(2R)-N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 171628213
N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-[(3S)-3-cyano-3-methylpyrrolidin-1-yl]acetamide
CID 171628172
N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide
CID 171628120
2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108548760
tert-butyl N-[(3S,4R)-4-(3-fluorophenyl)-1-propanoylpyrrolidin-3-yl]carbamate
CID 126818832

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide (CID 171628031) is 2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide is O=C(CNC(=O)C(F)(F)F)NC1CN(C(=O)c2cncc3cncn23)CCC1c1cccc(F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide?
The InChIKey is BBOROROBJHJEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N6O3/c23-14-3-1-2-13(6-14)16-4-5-31(20(34)18-9-27-7-15-8-28-12-32(15)18)11-17(16)30-19(33)10-29-21(35)22(24,25)26/h1-3,6-9,12,16-17H,4-5,10-11H2,(H,29,35)(H,30,33).
What are the key properties of 2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide?
2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide has a molecular weight of 492.43 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[[4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyrazine-5-carbonyl)piperidin-3-yl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 171628031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).