8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide

C26H23F3N8O3 — CID 163544237

IUPAC8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2n1C(C(=O)NCc1cnco1)=CN(C)C2N
InChIInChI=1S/C26H23F3N8O3/c1-14-34-21(22-23(30)36(2)12-19(37(14)22)25(39)33-11-18-10-31-13-40-18)15-3-5-16(6-4-15)24(38)35-20-9-17(7-8-32-20)26(27,28)29/h3-10,12-13,23H,11,30H2,1-2H3,(H,33,39)(H,32,35,38)
InChIKeyFDQOIOXTJBYPAL-UHFFFAOYSA-N
MW552.52 g/mol
LogP3.53
Rot. Bonds6

About 8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide

8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 163544237) has the molecular formula C26H23F3N8O3 and a molecular weight of 552.52 g/mol. Its IUPAC name is 8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID163544237
Molecular FormulaC26H23F3N8O3
Molecular Weight552.52 g/mol
Exact Mass552.18
IUPAC Name8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2n1C(C(=O)NCc1cnco1)=CN(C)C2N
InChIInChI=1S/C26H23F3N8O3/c1-14-34-21(22-23(30)36(2)12-19(37(14)22)25(39)33-11-18-10-31-13-40-18)15-3-5-16(6-4-15)24(38)35-20-9-17(7-8-32-20)26(27,28)29/h3-10,12-13,23H,11,30H2,1-2H3,(H,33,39)(H,32,35,38)
InChIKeyFDQOIOXTJBYPAL-UHFFFAOYSA-N
XLogP3.53
TPSA144.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.52
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide with MolForge

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Related Compounds

US9718828, Example, 297
CID 71222804
US9718828, Example, 178
CID 71222940
US9718828, Example, 291
CID 71223410
4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-5-ethoxyimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 135337751
(R)-4-(3-(1-(but-2-ynoyl)pyrrolidin-3-yl)-5-ethoxyimidazo[1,5-a]pyrazin-1-yl)-3-fluoro-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 135337841
(R)-4-(3-(1-acryloylpyrrolidin-3-yl)-5-ethoxyimidazo[1,5-a]pyrazin-1-yl)-3-fluoro-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 135338008
(S)-4-(3-(1-acryloylpyrrolidin-2-yl)-5-ethoxyimidazo[1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 135338094
4-[3-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-5-ethoxyimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 135338497
US10738057, Example 71
CID 155884313
ALP-POS-ced8ea4d-35
CID 156906612
[2-Benzyl-4-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 18687513
US10428044, Example 282
CID 118606833

Frequently Asked Questions

What is the IUPAC name of 8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 163544237) is 8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide is Cc1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2n1C(C(=O)NCc1cnco1)=CN(C)C2N.
What is the InChIKey of 8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is FDQOIOXTJBYPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N8O3/c1-14-34-21(22-23(30)36(2)12-19(37(14)22)25(39)33-11-18-10-31-13-40-18)15-3-5-16(6-4-15)24(38)35-20-9-17(7-8-32-20)26(27,28)29/h3-10,12-13,23H,11,30H2,1-2H3,(H,33,39)(H,32,35,38).
What are the key properties of 8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide?
8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 552.52 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3,7-dimethyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-8H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 163544237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).