4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C26H23ClF3N7O4 — CID 90311604

IUPAC4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESC[C@@H](O)C(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(Cl)n23)C1
InChIInChI=1S/C26H23ClF3N7O4/c1-13(38)25(40)36-8-9-41-17(12-36)23-35-20(21-22(31)33-11-18(27)37(21)23)14-2-4-15(5-3-14)24(39)34-19-10-16(6-7-32-19)26(28,29)30/h2-7,10-11,13,17,38H,8-9,12H2,1H3,(H2,31,33)(H,32,34,39)/t13-,17-/m1/s1
InChIKeyQUYDSIXJBFBWNR-CXAGYDPISA-N
MW589.96 g/mol
LogP3.58
Rot. Bonds5

About 4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 90311604) has the molecular formula C26H23ClF3N7O4 and a molecular weight of 589.96 g/mol. Its IUPAC name is 4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID90311604
Molecular FormulaC26H23ClF3N7O4
Molecular Weight589.96 g/mol
Exact Mass589.15
IUPAC Name4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESC[C@@H](O)C(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(Cl)n23)C1
InChIInChI=1S/C26H23ClF3N7O4/c1-13(38)25(40)36-8-9-41-17(12-36)23-35-20(21-22(31)33-11-18(27)37(21)23)14-2-4-15(5-3-14)24(39)34-19-10-16(6-7-32-19)26(28,29)30/h2-7,10-11,13,17,38H,8-9,12H2,1H3,(H2,31,33)(H,32,34,39)/t13-,17-/m1/s1
InChIKeyQUYDSIXJBFBWNR-CXAGYDPISA-N
XLogP3.58
TPSA147.97 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.96
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide 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 4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 90311604) is 4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is C[C@@H](O)C(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(Cl)n23)C1.
What is the InChIKey of 4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is QUYDSIXJBFBWNR-CXAGYDPISA-N. The full InChI is InChI=1S/C26H23ClF3N7O4/c1-13(38)25(40)36-8-9-41-17(12-36)23-35-20(21-22(31)33-11-18(27)37(21)23)14-2-4-15(5-3-14)24(39)34-19-10-16(6-7-32-19)26(28,29)30/h2-7,10-11,13,17,38H,8-9,12H2,1H3,(H2,31,33)(H,32,34,39)/t13-,17-/m1/s1.
What are the key properties of 4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 589.96 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-5-chloro-3-[(2R)-4-[(2R)-2-hydroxypropanoyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 90311604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).