4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate

C73H72BrN19O6 — CID 159138732

IUPAC4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
SMILESNc1nccn2c([C@@H]3CCCN(C(=O)OCc4ccccc4)C3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12.Nc1nccn2c([C@@H]3CCCN(C(=O)OCc4ccccc4)C3)nc(Br)c12.Nc1nccn2c([C@@H]3CCCNC3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12
InChIInChI=1S/C31H29N7O3.C23H23N7O.C19H20BrN5O2/c32-28-27-26(22-11-13-23(14-12-22)30(39)35-25-10-4-5-15-33-25)36-29(38(27)18-16-34-28)24-9-6-17-37(19-24)31(40)41-20-21-7-2-1-3-8-21;24-21-20-19(29-22(30(20)13-12-27-21)17-4-3-10-25-14-17)15-6-8-16(9-7-15)23(31)28-18-5-1-2-11-26-18;20-16-15-17(21)22-8-10-25(15)18(23-16)14-7-4-9-24(11-14)19(26)27-12-13-5-2-1-3-6-13/h1-5,7-8,10-16,18,24H,6,9,17,19-20H2,(H2,32,34)(H,33,35,39);1-2,5-9,11-13,17,25H,3-4,10,14H2,(H2,24,27)(H,26,28,31);1-3,5-6,8,10,14H,4,7,9,11-12H2,(H2,21,22)/t24-;17-;14-/m111/s1
InChIKeyKHVFFASAUMUKOL-UCBDWBPOSA-N
MW1391.41 g/mol
LogP11.82
Rot. Bonds13

About 4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate

4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate (PubChem CID 159138732) has the molecular formula C73H72BrN19O6 and a molecular weight of 1391.41 g/mol. Its IUPAC name is 4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
PubChem CID159138732
Molecular FormulaC73H72BrN19O6
Molecular Weight1391.41 g/mol
Exact Mass1389.51
IUPAC Name4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
SMILESNc1nccn2c([C@@H]3CCCN(C(=O)OCc4ccccc4)C3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12.Nc1nccn2c([C@@H]3CCCN(C(=O)OCc4ccccc4)C3)nc(Br)c12.Nc1nccn2c([C@@H]3CCCNC3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12
InChIInChI=1S/C31H29N7O3.C23H23N7O.C19H20BrN5O2/c32-28-27-26(22-11-13-23(14-12-22)30(39)35-25-10-4-5-15-33-25)36-29(38(27)18-16-34-28)24-9-6-17-37(19-24)31(40)41-20-21-7-2-1-3-8-21;24-21-20-19(29-22(30(20)13-12-27-21)17-4-3-10-25-14-17)15-6-8-16(9-7-15)23(31)28-18-5-1-2-11-26-18;20-16-15-17(21)22-8-10-25(15)18(23-16)14-7-4-9-24(11-14)19(26)27-12-13-5-2-1-3-6-13/h1-5,7-8,10-16,18,24H,6,9,17,19-20H2,(H2,32,34)(H,33,35,39);1-2,5-9,11-13,17,25H,3-4,10,14H2,(H2,24,27)(H,26,28,31);1-3,5-6,8,10,14H,4,7,9,11-12H2,(H2,21,22)/t24-;17-;14-/m111/s1
InChIKeyKHVFFASAUMUKOL-UCBDWBPOSA-N
XLogP11.82
TPSA323.72 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001391.41
LogP ≤ 511.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

benzyl (3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
CID 90323689
4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate
CID 159366533
4-[8-amino-3-[1-(2,2-difluorobutanoyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71222879
benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate
CID 138678996
4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;sulfane
CID 165008323
ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate
CID 71222924
4-[8-amino-3-[1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71223125
benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
CID 146482911
4-[8-amino-3-[(3R,6S)-1-(2-cyclopropylacetyl)-6-methylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71223170
benzyl 5-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-(methoxymethyl)piperidine-1-carboxylate
CID 90303860
4-[8-amino-3-[(3R)-1-(1-hydroxycyclopropanecarbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-ethyl-2-pyridinyl)benzamide
CID 71227300
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

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
The IUPAC name of 4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate (CID 159138732) is 4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for 4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for 4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate is Nc1nccn2c([C@@H]3CCCN(C(=O)OCc4ccccc4)C3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12.Nc1nccn2c([C@@H]3CCCN(C(=O)OCc4ccccc4)C3)nc(Br)c12.Nc1nccn2c([C@@H]3CCCNC3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12.
What is the InChIKey of 4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
The InChIKey is KHVFFASAUMUKOL-UCBDWBPOSA-N. The full InChI is InChI=1S/C31H29N7O3.C23H23N7O.C19H20BrN5O2/c32-28-27-26(22-11-13-23(14-12-22)30(39)35-25-10-4-5-15-33-25)36-29(38(27)18-16-34-28)24-9-6-17-37(19-24)31(40)41-20-21-7-2-1-3-8-21;24-21-20-19(29-22(30(20)13-12-27-21)17-4-3-10-25-14-17)15-6-8-16(9-7-15)23(31)28-18-5-1-2-11-26-18;20-16-15-17(21)22-8-10-25(15)18(23-16)14-7-4-9-24(11-14)19(26)27-12-13-5-2-1-3-6-13/h1-5,7-8,10-16,18,24H,6,9,17,19-20H2,(H2,32,34)(H,33,35,39);1-2,5-9,11-13,17,25H,3-4,10,14H2,(H2,24,27)(H,26,28,31);1-3,5-6,8,10,14H,4,7,9,11-12H2,(H2,21,22)/t24-;17-;14-/m111/s1.
What are the key properties of 4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate has a molecular weight of 1391.41 g/mol, XLogP of 11.82, 13 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 159138732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).