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

C25H23ClF3N7O3 — CID 90311655

IUPAC4-[8-amino-5-chloro-3-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNc1ncc(Cl)n2c([C@H]3CN(CCO)CCO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
InChIInChI=1S/C25H23ClF3N7O3/c26-18-12-32-22(30)21-20(34-23(36(18)21)17-13-35(7-9-37)8-10-39-17)14-1-3-15(4-2-14)24(38)33-19-11-16(5-6-31-19)25(27,28)29/h1-6,11-12,17,37H,7-10,13H2,(H2,30,32)(H,31,33,38)/t17-/m1/s1
InChIKeyJFYNMYUQUMJLOM-QGZVFWFLSA-N
MW561.95 g/mol
LogP3.66
Rot. Bonds6

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

4-[8-amino-5-chloro-3-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 90311655) has the molecular formula C25H23ClF3N7O3 and a molecular weight of 561.95 g/mol. Its IUPAC name is 4-[8-amino-5-chloro-3-[(2R)-4-(2-hydroxyethyl)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-(2-hydroxyethyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID90311655
Molecular FormulaC25H23ClF3N7O3
Molecular Weight561.95 g/mol
Exact Mass561.15
IUPAC Name4-[8-amino-5-chloro-3-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNc1ncc(Cl)n2c([C@H]3CN(CCO)CCO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
InChIInChI=1S/C25H23ClF3N7O3/c26-18-12-32-22(30)21-20(34-23(36(18)21)17-13-35(7-9-37)8-10-39-17)14-1-3-15(4-2-14)24(38)33-19-11-16(5-6-31-19)25(27,28)29/h1-6,11-12,17,37H,7-10,13H2,(H2,30,32)(H,31,33,38)/t17-/m1/s1
InChIKeyJFYNMYUQUMJLOM-QGZVFWFLSA-N
XLogP3.66
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.95
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

Pf-06273340
CID 66571548
4-[8-Azanyl-3-[(3~{r})-1-(3-Methyloxetan-3-Yl)carbonylpiperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
CID 71222614
4-[8-Azanyl-3-[(3~{r},6~{s})-1-Cyclopropylcarbonyl-6-Methyl-Piperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-3-Fluoranyl-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
CID 71226367
4-[8-amino-3-[(6R,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 90282962
US9718828, Example, 398
CID 71225940
US9718828, Example, 397
CID 71226110
(R)-4-(8-amino-3-(1-(3-methyloxetane-3-carbonyl)piperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl)-3-fluoro-N-(4-(trifluoromethyl)-pyridin-2-yl)benzamide
CID 71226207
US9718828, Example, 486
CID 71226521
US9718828, Example, 395
CID 71226620
US9718828, Example, 480
CID 71226635
US9718828, Example, 575
CID 71226944
US9718828, Example, 416
CID 71227158

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-5-chloro-3-[(2R)-4-(2-hydroxyethyl)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-(2-hydroxyethyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 90311655) is 4-[8-amino-5-chloro-3-[(2R)-4-(2-hydroxyethyl)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-(2-hydroxyethyl)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-(2-hydroxyethyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is Nc1ncc(Cl)n2c([C@H]3CN(CCO)CCO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12.
What is the InChIKey of 4-[8-amino-5-chloro-3-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is JFYNMYUQUMJLOM-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23ClF3N7O3/c26-18-12-32-22(30)21-20(34-23(36(18)21)17-13-35(7-9-37)8-10-39-17)14-1-3-15(4-2-14)24(38)33-19-11-16(5-6-31-19)25(27,28)29/h1-6,11-12,17,37H,7-10,13H2,(H2,30,32)(H,31,33,38)/t17-/m1/s1.
What are the key properties of 4-[8-amino-5-chloro-3-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-[8-amino-5-chloro-3-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 561.95 g/mol, XLogP of 3.66, 6 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-(2-hydroxyethyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 90311655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).