4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide

C33H39F3N8O — CID 144673956

IUPAC4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide
SMILESCn1ncc2c1CCC[C@H]2c1nc(-c2ccc(C(=O)NC3CC(C(F)(F)F)C(C4CCCCC4)CN3)cc2)c2c(N)nccn12
InChIInChI=1S/C33H39F3N8O/c1-43-26-9-5-8-22(24(26)18-40-43)31-42-28(29-30(37)38-14-15-44(29)31)20-10-12-21(13-11-20)32(45)41-27-16-25(33(34,35)36)23(17-39-27)19-6-3-2-4-7-19/h10-15,18-19,22-23,25,27,39H,2-9,16-17H2,1H3,(H2,37,38)(H,41,45)/t22-,23?,25?,27?/m1/s1
InChIKeySRVYHFLTBMGYEQ-SMAFZPDPSA-N
MW620.72 g/mol
LogP5.60
Rot. Bonds5

About 4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide

4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide (PubChem CID 144673956) has the molecular formula C33H39F3N8O and a molecular weight of 620.72 g/mol. Its IUPAC name is 4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide.

Molecular Properties

Compound Name4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide
PubChem CID144673956
Molecular FormulaC33H39F3N8O
Molecular Weight620.72 g/mol
Exact Mass620.32
IUPAC Name4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide
SMILESCn1ncc2c1CCC[C@H]2c1nc(-c2ccc(C(=O)NC3CC(C(F)(F)F)C(C4CCCCC4)CN3)cc2)c2c(N)nccn12
InChIInChI=1S/C33H39F3N8O/c1-43-26-9-5-8-22(24(26)18-40-43)31-42-28(29-30(37)38-14-15-44(29)31)20-10-12-21(13-11-20)32(45)41-27-16-25(33(34,35)36)23(17-39-27)19-6-3-2-4-7-19/h10-15,18-19,22-23,25,27,39H,2-9,16-17H2,1H3,(H2,37,38)(H,41,45)/t22-,23?,25?,27?/m1/s1
InChIKeySRVYHFLTBMGYEQ-SMAFZPDPSA-N
XLogP5.60
TPSA115.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.72
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide with MolForge

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Related Compounds

4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-cycloheptyl-4-(trifluoromethyl)piperidin-2-yl]benzamide
CID 138465493
4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 161142999
4-[8-amino-3-(1-methylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyrazin-2-ylbenzamide
CID 144510321
4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide
CID 71226584
4-[8-amino-3-(1-methylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 144510170
4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;sulfane
CID 165008323
4-(8-amino-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(5-methyl-2-pyridinyl)benzamide;ethane
CID 145306186
4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide
CID 71226257
4-[8-amino-3-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 139581779
4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide
CID 71234097
4-[8-amino-3-[(2R)-4-methylmorpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 90311530
4-[8-amino-3-[(1R,3R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71223028

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide?
The IUPAC name of 4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide (CID 144673956) is 4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide.
What is the SMILES notation for 4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide?
The canonical SMILES for 4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide is Cn1ncc2c1CCC[C@H]2c1nc(-c2ccc(C(=O)NC3CC(C(F)(F)F)C(C4CCCCC4)CN3)cc2)c2c(N)nccn12.
What is the InChIKey of 4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide?
The InChIKey is SRVYHFLTBMGYEQ-SMAFZPDPSA-N. The full InChI is InChI=1S/C33H39F3N8O/c1-43-26-9-5-8-22(24(26)18-40-43)31-42-28(29-30(37)38-14-15-44(29)31)20-10-12-21(13-11-20)32(45)41-27-16-25(33(34,35)36)23(17-39-27)19-6-3-2-4-7-19/h10-15,18-19,22-23,25,27,39H,2-9,16-17H2,1H3,(H2,37,38)(H,41,45)/t22-,23?,25?,27?/m1/s1.
What are the key properties of 4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide?
4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide has a molecular weight of 620.72 g/mol, XLogP of 5.60, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide is sourced from PubChem (CID 144673956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).