4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C27H26F3N7O — CID 76902377

IUPAC4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNc1nccn2c([C@@H]3CC[C@H]4CCCN4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
InChIInChI=1S/C27H26F3N7O/c28-27(29,30)19-9-10-32-21(14-19)34-26(38)17-5-3-16(4-6-17)22-23-24(31)33-11-13-37(23)25(35-22)18-7-8-20-2-1-12-36(20)15-18/h3-6,9-11,13-14,18,20H,1-2,7-8,12,15H2,(H2,31,33)(H,32,34,38)/t18-,20-/m1/s1
InChIKeyOSECUMVFQSYGEV-UYAOXDASSA-N
MW521.55 g/mol
LogP4.99
Rot. Bonds4

About 4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 76902377) has the molecular formula C27H26F3N7O and a molecular weight of 521.55 g/mol. Its IUPAC name is 4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID76902377
Molecular FormulaC27H26F3N7O
Molecular Weight521.55 g/mol
Exact Mass521.22
IUPAC Name4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNc1nccn2c([C@@H]3CC[C@H]4CCCN4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
InChIInChI=1S/C27H26F3N7O/c28-27(29,30)19-9-10-32-21(14-19)34-26(38)17-5-3-16(4-6-17)22-23-24(31)33-11-13-37(23)25(35-22)18-7-8-20-2-1-12-36(20)15-18/h3-6,9-11,13-14,18,20H,1-2,7-8,12,15H2,(H2,31,33)(H,32,34,38)/t18-,20-/m1/s1
InChIKeyOSECUMVFQSYGEV-UYAOXDASSA-N
XLogP4.99
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.55
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[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

Related Compounds

Nilotinib
CID 644241
Acalabrutinib
CID 71226662
Radotinib
CID 16063245
Flumatinib
CID 46848036
Nilotinib Hydrochloride Anhydrous
CID 16006490
(3R)-1-(2-(1-((4-fluorophenyl)methyl)-1H-indol-2-yl)-3-methylimidazo(1,2-a)pyridine-7-carbonyl)piperidin-3-amine
CID 138578805
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
3-(2-imidazo[1,2-a]pyrazin-5-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 71605047
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
Clk-IN-T3
CID 132585205
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748028

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 76902377) is 4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is Nc1nccn2c([C@@H]3CC[C@H]4CCCN4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12.
What is the InChIKey of 4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is OSECUMVFQSYGEV-UYAOXDASSA-N. The full InChI is InChI=1S/C27H26F3N7O/c28-27(29,30)19-9-10-32-21(14-19)34-26(38)17-5-3-16(4-6-17)22-23-24(31)33-11-13-37(23)25(35-22)18-7-8-20-2-1-12-36(20)15-18/h3-6,9-11,13-14,18,20H,1-2,7-8,12,15H2,(H2,31,33)(H,32,34,38)/t18-,20-/m1/s1.
What are the key properties of 4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 521.55 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 76902377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).