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

C34H41F3N8O — CID 138465493

IUPAC4-[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
SMILESCn1ncc2c1CCC[C@H]2c1nc(-c2ccc(C(=O)NC3CC(C4CCCCCC4)(C(F)(F)F)CCN3)cc2)c2c(N)nccn12
InChIInChI=1S/C34H41F3N8O/c1-44-26-10-6-9-24(25(26)20-41-44)31-43-28(29-30(38)40-17-18-45(29)31)21-11-13-22(14-12-21)32(46)42-27-19-33(15-16-39-27,34(35,36)37)23-7-4-2-3-5-8-23/h11-14,17-18,20,23-24,27,39H,2-10,15-16,19H2,1H3,(H2,38,40)(H,42,46)/t24-,27?,33?/m1/s1
InChIKeyHIRPKSXJSRUTNB-KIWIMVCQSA-N
MW634.75 g/mol
LogP6.14
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-[4-cycloheptyl-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-[4-cycloheptyl-4-(trifluoromethyl)piperidin-2-yl]benzamide (PubChem CID 138465493) has the molecular formula C34H41F3N8O and a molecular weight of 634.75 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-[4-cycloheptyl-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-[4-cycloheptyl-4-(trifluoromethyl)piperidin-2-yl]benzamide
PubChem CID138465493
Molecular FormulaC34H41F3N8O
Molecular Weight634.75 g/mol
Exact Mass634.34
IUPAC Name4-[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
SMILESCn1ncc2c1CCC[C@H]2c1nc(-c2ccc(C(=O)NC3CC(C4CCCCCC4)(C(F)(F)F)CCN3)cc2)c2c(N)nccn12
InChIInChI=1S/C34H41F3N8O/c1-44-26-10-6-9-24(25(26)20-41-44)31-43-28(29-30(38)40-17-18-45(29)31)21-11-13-22(14-12-21)32(46)42-27-19-33(15-16-39-27,34(35,36)37)23-7-4-2-3-5-8-23/h11-14,17-18,20,23-24,27,39H,2-10,15-16,19H2,1H3,(H2,38,40)(H,42,46)/t24-,27?,33?/m1/s1
InChIKeyHIRPKSXJSRUTNB-KIWIMVCQSA-N
XLogP6.14
TPSA115.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.75
LogP ≤ 56.14
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-[4-cycloheptyl-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-[5-cyclohexyl-4-(trifluoromethyl)piperidin-2-yl]benzamide
CID 144673956
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-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-pyridazin-3-ylbenzamide
CID 71226584
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-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 166775231
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-(1-methylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 144510170
acetic acid;4-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
CID 144510068
4-[8-amino-3-(6-methyl-6-azaspiro[2.5]octan-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 144510125
4-[8-amino-3-(5-but-2-ynoyl-5-azaspiro[2.4]heptan-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 135254831
cis-(1S,3S)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-propan-2-ylcyclopentane-1-carboxylic acid
CID 121455876

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-[4-cycloheptyl-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-[4-cycloheptyl-4-(trifluoromethyl)piperidin-2-yl]benzamide (CID 138465493) is 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.
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-[4-cycloheptyl-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-[4-cycloheptyl-4-(trifluoromethyl)piperidin-2-yl]benzamide is Cn1ncc2c1CCC[C@H]2c1nc(-c2ccc(C(=O)NC3CC(C4CCCCCC4)(C(F)(F)F)CCN3)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-[4-cycloheptyl-4-(trifluoromethyl)piperidin-2-yl]benzamide?
The InChIKey is HIRPKSXJSRUTNB-KIWIMVCQSA-N. The full InChI is InChI=1S/C34H41F3N8O/c1-44-26-10-6-9-24(25(26)20-41-44)31-43-28(29-30(38)40-17-18-45(29)31)21-11-13-22(14-12-21)32(46)42-27-19-33(15-16-39-27,34(35,36)37)23-7-4-2-3-5-8-23/h11-14,17-18,20,23-24,27,39H,2-10,15-16,19H2,1H3,(H2,38,40)(H,42,46)/t24-,27?,33?/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-[4-cycloheptyl-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-[4-cycloheptyl-4-(trifluoromethyl)piperidin-2-yl]benzamide has a molecular weight of 634.75 g/mol, XLogP of 6.14, 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-[4-cycloheptyl-4-(trifluoromethyl)piperidin-2-yl]benzamide is sourced from PubChem (CID 138465493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).