2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide

C26H25F3N8O3 — CID 71222940

IUPAC2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide
SMILESCCNC(=O)N1CCOC(c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)C1
InChIInChI=1S/C26H25F3N8O3/c1-2-31-25(39)36-11-12-40-18(14-36)23-35-20(21-22(30)33-9-10-37(21)23)15-3-5-16(6-4-15)24(38)34-19-13-17(7-8-32-19)26(27,28)29/h3-10,13,18H,2,11-12,14H2,1H3,(H2,30,33)(H,31,39)(H,32,34,38)
InChIKeyDTCQIMAAJSRPDP-UHFFFAOYSA-N
MW554.53 g/mol
LogP3.75
Rot. Bonds5

About 2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide

2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide (PubChem CID 71222940) has the molecular formula C26H25F3N8O3 and a molecular weight of 554.53 g/mol. Its IUPAC name is 2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide
PubChem CID71222940
Molecular FormulaC26H25F3N8O3
Molecular Weight554.53 g/mol
Exact Mass554.20
IUPAC Name2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide
SMILESCCNC(=O)N1CCOC(c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)C1
InChIInChI=1S/C26H25F3N8O3/c1-2-31-25(39)36-11-12-40-18(14-36)23-35-20(21-22(30)33-9-10-37(21)23)15-3-5-16(6-4-15)24(38)34-19-13-17(7-8-32-19)26(27,28)29/h3-10,13,18H,2,11-12,14H2,1H3,(H2,30,33)(H,31,39)(H,32,34,38)
InChIKeyDTCQIMAAJSRPDP-UHFFFAOYSA-N
XLogP3.75
TPSA139.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.53
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide?
The IUPAC name of 2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide (CID 71222940) is 2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide.
What is the SMILES notation for 2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide?
The canonical SMILES for 2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide is CCNC(=O)N1CCOC(c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)C1.
What is the InChIKey of 2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide?
The InChIKey is DTCQIMAAJSRPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N8O3/c1-2-31-25(39)36-11-12-40-18(14-36)23-35-20(21-22(30)33-9-10-37(21)23)15-3-5-16(6-4-15)24(38)34-19-13-17(7-8-32-19)26(27,28)29/h3-10,13,18H,2,11-12,14H2,1H3,(H2,30,33)(H,31,39)(H,32,34,38).
What are the key properties of 2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide?
2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide has a molecular weight of 554.53 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-ethylmorpholine-4-carboxamide is sourced from PubChem (CID 71222940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).