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

C25H19F3N8O3 — CID 71222804

IUPAC8-amino-3-methyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncc(C(=O)NCc3cnco3)n12
InChIInChI=1S/C25H19F3N8O3/c1-13-34-20(21-22(29)32-11-18(36(13)21)24(38)33-10-17-9-30-12-39-17)14-2-4-15(5-3-14)23(37)35-19-8-16(6-7-31-19)25(26,27)28/h2-9,11-12H,10H2,1H3,(H2,29,32)(H,33,38)(H,31,35,37)
InChIKeyJUHARXQQZQZICM-UHFFFAOYSA-N
MW536.47 g/mol
LogP3.87
Rot. Bonds6

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

8-amino-3-methyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 71222804) has the molecular formula C25H19F3N8O3 and a molecular weight of 536.47 g/mol. Its IUPAC name is 8-amino-3-methyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name8-amino-3-methyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID71222804
Molecular FormulaC25H19F3N8O3
Molecular Weight536.47 g/mol
Exact Mass536.15
IUPAC Name8-amino-3-methyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncc(C(=O)NCc3cnco3)n12
InChIInChI=1S/C25H19F3N8O3/c1-13-34-20(21-22(29)32-11-18(36(13)21)24(38)33-10-17-9-30-12-39-17)14-2-4-15(5-3-14)23(37)35-19-8-16(6-7-31-19)25(26,27)28/h2-9,11-12H,10H2,1H3,(H2,29,32)(H,33,38)(H,31,35,37)
InChIKeyJUHARXQQZQZICM-UHFFFAOYSA-N
XLogP3.87
TPSA153.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.47
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-methyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 8-amino-3-methyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide (CID 71222804) is 8-amino-3-methyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 8-amino-3-methyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 8-amino-3-methyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide is Cc1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncc(C(=O)NCc3cnco3)n12.
What is the InChIKey of 8-amino-3-methyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is JUHARXQQZQZICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N8O3/c1-13-34-20(21-22(29)32-11-18(36(13)21)24(38)33-10-17-9-30-12-39-17)14-2-4-15(5-3-14)23(37)35-19-8-16(6-7-31-19)25(26,27)28/h2-9,11-12H,10H2,1H3,(H2,29,32)(H,33,38)(H,31,35,37).
What are the key properties of 8-amino-3-methyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?
8-amino-3-methyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 536.47 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-methyl-N-(1,3-oxazol-5-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 71222804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).